7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile

C7H5N5 — CID 21022786

IUPAC7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile
SMILESCc1nc2nncn2cc1C#N
InChIInChI=1S/C7H5N5/c1-5-6(2-8)3-12-4-9-11-7(12)10-5/h3-4H,1H3
InChIKeyCDRRWGCGMLYGMM-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.30
Rot. Bonds

About 7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile

7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile (PubChem CID 21022786) has the molecular formula C7H5N5 and a molecular weight of 159.15 g/mol. Its IUPAC name is 7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile
PubChem CID21022786
Molecular FormulaC7H5N5
Molecular Weight159.15 g/mol
Exact Mass159.05
IUPAC Name7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile
SMILESCc1nc2nncn2cc1C#N
InChIInChI=1S/C7H5N5/c1-5-6(2-8)3-12-4-9-11-7(12)10-5/h3-4H,1H3
InChIKeyCDRRWGCGMLYGMM-UHFFFAOYSA-N
XLogP0.30
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile (CID 21022786) is 7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile is Cc1nc2nncn2cc1C#N.
What is the InChIKey of 7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile?
The InChIKey is CDRRWGCGMLYGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5/c1-5-6(2-8)3-12-4-9-11-7(12)10-5/h3-4H,1H3.
What are the key properties of 7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile?
7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile has a molecular weight of 159.15 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 21022786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).