2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile

C9H11N3 — CID 84716793

IUPAC2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile
SMILESCn1cc2c(n1)CCCC2C#N
InChIInChI=1S/C9H11N3/c1-12-6-8-7(5-10)3-2-4-9(8)11-12/h6-7H,2-4H2,1H3
InChIKeyIQFHCSZZVDTOCF-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.36
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile

2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile (PubChem CID 84716793) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile
PubChem CID84716793
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile
SMILESCn1cc2c(n1)CCCC2C#N
InChIInChI=1S/C9H11N3/c1-12-6-8-7(5-10)3-2-4-9(8)11-12/h6-7H,2-4H2,1H3
InChIKeyIQFHCSZZVDTOCF-UHFFFAOYSA-N
XLogP1.36
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile (CID 84716793) is 2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile is Cn1cc2c(n1)CCCC2C#N.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile?
The InChIKey is IQFHCSZZVDTOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-12-6-8-7(5-10)3-2-4-9(8)11-12/h6-7H,2-4H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile?
2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile is sourced from PubChem (CID 84716793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).