3-methyl-6H-indazole

C8H8N2 — CID 174665894

IUPAC3-methyl-6H-indazole
SMILESCC1=C2C=CCC=C2N=N1
InChIInChI=1S/C8H8N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2,4-5H,3H2,1H3
InChIKeyZGRXMNAXMYNPOA-UHFFFAOYSA-N
MW132.17 g/mol
LogP2.57
Rot. Bonds

About 3-methyl-6H-indazole

3-methyl-6H-indazole (PubChem CID 174665894) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 3-methyl-6H-indazole.

Molecular Properties

Compound Name3-methyl-6H-indazole
PubChem CID174665894
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name3-methyl-6H-indazole
SMILESCC1=C2C=CCC=C2N=N1
InChIInChI=1S/C8H8N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2,4-5H,3H2,1H3
InChIKeyZGRXMNAXMYNPOA-UHFFFAOYSA-N
XLogP2.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6H-indazole?
The IUPAC name of 3-methyl-6H-indazole (CID 174665894) is 3-methyl-6H-indazole.
What is the SMILES notation for 3-methyl-6H-indazole?
The canonical SMILES for 3-methyl-6H-indazole is CC1=C2C=CCC=C2N=N1.
What is the InChIKey of 3-methyl-6H-indazole?
The InChIKey is ZGRXMNAXMYNPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2,4-5H,3H2,1H3.
What are the key properties of 3-methyl-6H-indazole?
3-methyl-6H-indazole has a molecular weight of 132.17 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6H-indazole is sourced from PubChem (CID 174665894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).