1-methyl-3a,7a-dihydroindazole-4,7-diamine

C8H12N4 — CID 90145931

IUPAC1-methyl-3a,7a-dihydroindazole-4,7-diamine
SMILESCN1N=CC2C(N)=CC=C(N)C21
InChIInChI=1S/C8H12N4/c1-12-8-5(4-11-12)6(9)2-3-7(8)10/h2-5,8H,9-10H2,1H3
InChIKeyDTVRNXHCHNOYJR-UHFFFAOYSA-N
MW164.21 g/mol
LogP-0.40
Rot. Bonds

About 1-methyl-3a,7a-dihydroindazole-4,7-diamine

1-methyl-3a,7a-dihydroindazole-4,7-diamine (PubChem CID 90145931) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-methyl-3a,7a-dihydroindazole-4,7-diamine.

Molecular Properties

Compound Name1-methyl-3a,7a-dihydroindazole-4,7-diamine
PubChem CID90145931
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name1-methyl-3a,7a-dihydroindazole-4,7-diamine
SMILESCN1N=CC2C(N)=CC=C(N)C21
InChIInChI=1S/C8H12N4/c1-12-8-5(4-11-12)6(9)2-3-7(8)10/h2-5,8H,9-10H2,1H3
InChIKeyDTVRNXHCHNOYJR-UHFFFAOYSA-N
XLogP-0.40
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3a,7a-dihydroindazole-4,7-diamine 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 1-methyl-3a,7a-dihydroindazole-4,7-diamine?
The IUPAC name of 1-methyl-3a,7a-dihydroindazole-4,7-diamine (CID 90145931) is 1-methyl-3a,7a-dihydroindazole-4,7-diamine.
What is the SMILES notation for 1-methyl-3a,7a-dihydroindazole-4,7-diamine?
The canonical SMILES for 1-methyl-3a,7a-dihydroindazole-4,7-diamine is CN1N=CC2C(N)=CC=C(N)C21.
What is the InChIKey of 1-methyl-3a,7a-dihydroindazole-4,7-diamine?
The InChIKey is DTVRNXHCHNOYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-12-8-5(4-11-12)6(9)2-3-7(8)10/h2-5,8H,9-10H2,1H3.
What are the key properties of 1-methyl-3a,7a-dihydroindazole-4,7-diamine?
1-methyl-3a,7a-dihydroindazole-4,7-diamine has a molecular weight of 164.21 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3a,7a-dihydroindazole-4,7-diamine is sourced from PubChem (CID 90145931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).