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CAS 1027259-01-3 6-nitro-1H-indazol-3-amine molecular structure lightbox
CAS RN: 1027259-01-3

6-nitro-1H-indazol-3-amine

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Batchno.20250530 100mg Out of stock Inquiry
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  • Product code: starshine_CAS1027259-01-3
  • Purity/Analytical Methods: >99.0%
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1027259-01-3 / 6-nitro-1H-indazol-3-amine

6-NITRO-1H-INDAZOL-3-AMINE | 1H-Indazol-3-amine, 6-nitro- | MFCD11707246

Standard CAS: 1027259-01-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1027259-01-3
Multi CAS
No
Molecular Formula
C7H6N4O2
Molecular Weight
178.150000
Exact Mass
178.049075
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])NN=C2N
InChI
InChI=1S/C7H6N4O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H3,8,9,10)
InChIKey
GUQMGUUEHIUELS-UHFFFAOYSA-N
Synonyms
6-NITRO-1H-INDAZOL-3-AMINE 1H-Indazol-3-amine, 6-nitro- MFCD11707246 6-nitro-1H-indazol-3-ylamine 3-amino-6-nitroindazole

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.16
TPSA
97.84

LogP / Solubility

WLOGP
1.05
MLOGP
0.92
XLogP3
1
Consensus LogP
0.99
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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