![CAS 851776-28-8 3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/851776-28-8.gif)
CAS RN: 851776-28-8
3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS851776-28-8
- Purity/Analytical Methods: >99.0%
851776-28-8 / 3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
Basic Information
CAS
851776-28-8
Multi CAS
No
Molecular Formula
C7H8N6
Molecular Weight
176.180000
Exact Mass
176.081044
InChI
InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)
InChIKey
LTQYSJKGRPGMPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.78
TPSA
83.14
LogP / Solubility
WLOGP
0.08
MLOGP
0.07
XLogP3
0.2
Consensus LogP
0.12
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1,4,5,6-TETRAHYDRO-CYCLOPENTAPYRAZOLE-3-CARBONITRILE
- CAS RN: 851776-29-9
- Product Code: starshine_CAS851776-29-9
- Purity/Analytical method: >99.0%
-
3-Cyclopentapyrazolecarboxamide, 1,4,5,6-tetrahydro-
- CAS RN: 851776-30-2
- Product Code: SSC-193388
-
2(1H)-Isoquinolinecarboxylic acid, 5,7-dichloro-3,4-dihydro-6-hydroxy-, 1,1-dimethylethyl ester
- CAS RN: 851784-76-4
- Product Code: SSC-193389
-
2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
- CAS RN: 851784-82-2
- Product Code: SSC-193391
-
methyl 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylate
- CAS RN: 851784-90-2
- Product Code: SSC-193392
-
methyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride
- CAS RN: 851785-21-2
- Product Code: SSC-193394
