2,7-dimethylindazole-3-carbonitrile

C10H9N3 — CID 84717403

IUPAC2,7-dimethylindazole-3-carbonitrile
SMILESCc1cccc2c(C#N)n(C)nc12
InChIInChI=1S/C10H9N3/c1-7-4-3-5-8-9(6-11)13(2)12-10(7)8/h3-5H,1-2H3
InChIKeyGUONXFLZDSVXBR-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.75
Rot. Bonds

About 2,7-dimethylindazole-3-carbonitrile

2,7-dimethylindazole-3-carbonitrile (PubChem CID 84717403) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2,7-dimethylindazole-3-carbonitrile.

Molecular Properties

Compound Name2,7-dimethylindazole-3-carbonitrile
PubChem CID84717403
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2,7-dimethylindazole-3-carbonitrile
SMILESCc1cccc2c(C#N)n(C)nc12
InChIInChI=1S/C10H9N3/c1-7-4-3-5-8-9(6-11)13(2)12-10(7)8/h3-5H,1-2H3
InChIKeyGUONXFLZDSVXBR-UHFFFAOYSA-N
XLogP1.75
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylindazole-3-carbonitrile?
The IUPAC name of 2,7-dimethylindazole-3-carbonitrile (CID 84717403) is 2,7-dimethylindazole-3-carbonitrile.
What is the SMILES notation for 2,7-dimethylindazole-3-carbonitrile?
The canonical SMILES for 2,7-dimethylindazole-3-carbonitrile is Cc1cccc2c(C#N)n(C)nc12.
What is the InChIKey of 2,7-dimethylindazole-3-carbonitrile?
The InChIKey is GUONXFLZDSVXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-7-4-3-5-8-9(6-11)13(2)12-10(7)8/h3-5H,1-2H3.
What are the key properties of 2,7-dimethylindazole-3-carbonitrile?
2,7-dimethylindazole-3-carbonitrile has a molecular weight of 171.20 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylindazole-3-carbonitrile is sourced from PubChem (CID 84717403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).