(7aR)-3-methyl-1,7a-dihydroindazol-5-imine

C8H9N3 — CID 137061735

IUPAC(7aR)-3-methyl-1,7a-dihydroindazol-5-imine
SMILES[H]/N=C1\C=C[C@H]2NN=C(C)C2=C1
InChIInChI=1S/C8H9N3/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4,8-9,11H,1H3/b9-6+/t8-/m1/s1
InChIKeyZJSXXNAPMFGKMF-GTUWVTDSSA-N
MW147.18 g/mol
LogP0.85
Rot. Bonds

About (7aR)-3-methyl-1,7a-dihydroindazol-5-imine

(7aR)-3-methyl-1,7a-dihydroindazol-5-imine (PubChem CID 137061735) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is (7aR)-3-methyl-1,7a-dihydroindazol-5-imine.

Molecular Properties

Compound Name(7aR)-3-methyl-1,7a-dihydroindazol-5-imine
PubChem CID137061735
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name(7aR)-3-methyl-1,7a-dihydroindazol-5-imine
SMILES[H]/N=C1\C=C[C@H]2NN=C(C)C2=C1
InChIInChI=1S/C8H9N3/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4,8-9,11H,1H3/b9-6+/t8-/m1/s1
InChIKeyZJSXXNAPMFGKMF-GTUWVTDSSA-N
XLogP0.85
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (7aR)-3-methyl-1,7a-dihydroindazol-5-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7aR)-3-methyl-1,7a-dihydroindazol-5-imine?
The IUPAC name of (7aR)-3-methyl-1,7a-dihydroindazol-5-imine (CID 137061735) is (7aR)-3-methyl-1,7a-dihydroindazol-5-imine.
What is the SMILES notation for (7aR)-3-methyl-1,7a-dihydroindazol-5-imine?
The canonical SMILES for (7aR)-3-methyl-1,7a-dihydroindazol-5-imine is [H]/N=C1\C=C[C@H]2NN=C(C)C2=C1.
What is the InChIKey of (7aR)-3-methyl-1,7a-dihydroindazol-5-imine?
The InChIKey is ZJSXXNAPMFGKMF-GTUWVTDSSA-N. The full InChI is InChI=1S/C8H9N3/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4,8-9,11H,1H3/b9-6+/t8-/m1/s1.
What are the key properties of (7aR)-3-methyl-1,7a-dihydroindazol-5-imine?
(7aR)-3-methyl-1,7a-dihydroindazol-5-imine has a molecular weight of 147.18 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3-methyl-1,7a-dihydroindazol-5-imine is sourced from PubChem (CID 137061735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).