5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H12N6O — CID 2979484

IUPAC5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3cccnc3)nc2n1
InChIInChI=1S/C13H12N6O/c1-8-6-9(2)19-13(15-8)17-11(18-19)12(20)16-10-4-3-5-14-7-10/h3-7H,1-2H3,(H,16,20)
InChIKeyOQJKGDGSMXFRJL-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.39
Rot. Bonds2

About 5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2979484) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2979484
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3cccnc3)nc2n1
InChIInChI=1S/C13H12N6O/c1-8-6-9(2)19-13(15-8)17-11(18-19)12(20)16-10-4-3-5-14-7-10/h3-7H,1-2H3,(H,16,20)
InChIKeyOQJKGDGSMXFRJL-UHFFFAOYSA-N
XLogP1.39
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2979484) is 5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)Nc3cccnc3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OQJKGDGSMXFRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-8-6-9(2)19-13(15-8)17-11(18-19)12(20)16-10-4-3-5-14-7-10/h3-7H,1-2H3,(H,16,20).
What are the key properties of 5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2979484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).