7-methyl-1H-indazole-5-carbonitrile

C9H7N3 — CID 97301699

IUPAC7-methyl-1H-indazole-5-carbonitrile
SMILESCc1cc(C#N)cc2cn[nH]c12
InChIInChI=1S/C9H7N3/c1-6-2-7(4-10)3-8-5-11-12-9(6)8/h2-3,5H,1H3,(H,11,12)
InChIKeyIIRKHOYEZJVOBZ-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.74
Rot. Bonds

About 7-methyl-1H-indazole-5-carbonitrile

7-methyl-1H-indazole-5-carbonitrile (PubChem CID 97301699) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 7-methyl-1H-indazole-5-carbonitrile.

Molecular Properties

Compound Name7-methyl-1H-indazole-5-carbonitrile
PubChem CID97301699
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name7-methyl-1H-indazole-5-carbonitrile
SMILESCc1cc(C#N)cc2cn[nH]c12
InChIInChI=1S/C9H7N3/c1-6-2-7(4-10)3-8-5-11-12-9(6)8/h2-3,5H,1H3,(H,11,12)
InChIKeyIIRKHOYEZJVOBZ-UHFFFAOYSA-N
XLogP1.74
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1H-indazole-5-carbonitrile?
The IUPAC name of 7-methyl-1H-indazole-5-carbonitrile (CID 97301699) is 7-methyl-1H-indazole-5-carbonitrile.
What is the SMILES notation for 7-methyl-1H-indazole-5-carbonitrile?
The canonical SMILES for 7-methyl-1H-indazole-5-carbonitrile is Cc1cc(C#N)cc2cn[nH]c12.
What is the InChIKey of 7-methyl-1H-indazole-5-carbonitrile?
The InChIKey is IIRKHOYEZJVOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c1-6-2-7(4-10)3-8-5-11-12-9(6)8/h2-3,5H,1H3,(H,11,12).
What are the key properties of 7-methyl-1H-indazole-5-carbonitrile?
7-methyl-1H-indazole-5-carbonitrile has a molecular weight of 157.18 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1H-indazole-5-carbonitrile is sourced from PubChem (CID 97301699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).