1-methylindazole-5-carbonitrile

C9H7N3 — CID 10583041

IUPAC1-methylindazole-5-carbonitrile
SMILESCn1ncc2cc(C#N)ccc21
InChIInChI=1S/C9H7N3/c1-12-9-3-2-7(5-10)4-8(9)6-11-12/h2-4,6H,1H3
InChIKeyQAXKWSDDUMHXFE-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.44
Rot. Bonds

About 1-methylindazole-5-carbonitrile

1-methylindazole-5-carbonitrile (PubChem CID 10583041) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 1-methylindazole-5-carbonitrile.

Molecular Properties

Compound Name1-methylindazole-5-carbonitrile
PubChem CID10583041
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name1-methylindazole-5-carbonitrile
SMILESCn1ncc2cc(C#N)ccc21
InChIInChI=1S/C9H7N3/c1-12-9-3-2-7(5-10)4-8(9)6-11-12/h2-4,6H,1H3
InChIKeyQAXKWSDDUMHXFE-UHFFFAOYSA-N
XLogP1.44
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazol-4-yl)indazole-5-carbonitrile
CID 175755944
2-(1-methylindazol-5-yl)prop-2-enenitrile
CID 142664666
1,5-dimethylindazole;ethane
CID 90788862
1-pyridin-2-ylindazole-5-carbonitrile
CID 10489088
1,6-dimethylindazole-5-carbonitrile;ethane
CID 178139886
N-methyl-1-(1-methylindazol-5-yl)methanamine
CID 82598913
2-(1-methylindazol-6-yl)acetonitrile
CID 84765976
6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile
CID 169103085
2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040549
ethane;methane;1-methylindazole
CID 142166782
5-(2,2-dimethylpropyl)-1-methylindazole
CID 59139804
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480

Frequently Asked Questions

What is the IUPAC name of 1-methylindazole-5-carbonitrile?
The IUPAC name of 1-methylindazole-5-carbonitrile (CID 10583041) is 1-methylindazole-5-carbonitrile.
What is the SMILES notation for 1-methylindazole-5-carbonitrile?
The canonical SMILES for 1-methylindazole-5-carbonitrile is Cn1ncc2cc(C#N)ccc21.
What is the InChIKey of 1-methylindazole-5-carbonitrile?
The InChIKey is QAXKWSDDUMHXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c1-12-9-3-2-7(5-10)4-8(9)6-11-12/h2-4,6H,1H3.
What are the key properties of 1-methylindazole-5-carbonitrile?
1-methylindazole-5-carbonitrile has a molecular weight of 157.18 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindazole-5-carbonitrile is sourced from PubChem (CID 10583041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).