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CAS 877-05-4 N-Ethyl-1H-indazol-3-amine molecular structure lightbox
CAS RN: 877-05-4

N-Ethyl-1H-indazol-3-amine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260126 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
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877-05-4 / N-ethyl-1H-indazol-3-amine

N-Ethyl-1H-indazol-3-amine | MFCD20671042 | SCHEMBL700943

Standard CAS: 877-05-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
877-05-4
Multi CAS
No
Molecular Formula
C9H11N3
Molecular Weight
161.200000
Exact Mass
161.095297
SMILES
CCNC1=NNC2=CC=CC=C21
InChI
InChI=1S/C9H11N3/c1-2-10-9-7-5-3-4-6-8(7)11-12-9/h3-6H,2H2,1H3,(H2,10,11,12)
InChIKey
LQOUSGCPXCBABO-UHFFFAOYSA-N
Synonyms
N-Ethyl-1H-indazol-3-amine MFCD20671042 SCHEMBL700943 SCHEMBL2558302 SCHEMBL13996487

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.26
TPSA
40.71

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
2.2
Consensus LogP
1.98
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

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

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