1-methyl-3a,7a-dihydroindazole

C8H10N2 — CID 19426256

IUPAC1-methyl-3a,7a-dihydroindazole
SMILESCN1N=CC2C=CC=CC21
InChIInChI=1S/C8H10N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-8H,1H3
InChIKeyVQPWOMNLXJPCEF-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.03
Rot. Bonds

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

1-methyl-3a,7a-dihydroindazole (PubChem CID 19426256) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-methyl-3a,7a-dihydroindazole.

Molecular Properties

Compound Name1-methyl-3a,7a-dihydroindazole
PubChem CID19426256
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1-methyl-3a,7a-dihydroindazole
SMILESCN1N=CC2C=CC=CC21
InChIInChI=1S/C8H10N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-8H,1H3
InChIKeyVQPWOMNLXJPCEF-UHFFFAOYSA-N
XLogP1.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3a,7a-dihydroindazole 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?
The IUPAC name of 1-methyl-3a,7a-dihydroindazole (CID 19426256) is 1-methyl-3a,7a-dihydroindazole.
What is the SMILES notation for 1-methyl-3a,7a-dihydroindazole?
The canonical SMILES for 1-methyl-3a,7a-dihydroindazole is CN1N=CC2C=CC=CC21.
What is the InChIKey of 1-methyl-3a,7a-dihydroindazole?
The InChIKey is VQPWOMNLXJPCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-8H,1H3.
What are the key properties of 1-methyl-3a,7a-dihydroindazole?
1-methyl-3a,7a-dihydroindazole has a molecular weight of 134.18 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3a,7a-dihydroindazole is sourced from PubChem (CID 19426256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).