7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H12N6O — CID 36714293

IUPAC7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCc3ccccn3)nn12
InChIInChI=1S/C13H12N6O/c1-9-5-7-15-13-17-11(18-19(9)13)12(20)16-8-10-4-2-3-6-14-10/h2-7H,8H2,1H3,(H,16,20)
InChIKeyMYYWVYYMPSQHFR-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.76
Rot. Bonds3

About 7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 36714293) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID36714293
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCc3ccccn3)nn12
InChIInChI=1S/C13H12N6O/c1-9-5-7-15-13-17-11(18-19(9)13)12(20)16-8-10-4-2-3-6-14-10/h2-7H,8H2,1H3,(H,16,20)
InChIKeyMYYWVYYMPSQHFR-UHFFFAOYSA-N
XLogP0.76
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
CID 43354509
7-methyl-N-[2-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18190009
7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 119504074
7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 60618632
2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid
CID 66165203
7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51275569
7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17394675
N-[(1-hydroxycyclobutyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 115643395
7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 4298592
5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 50814915
2,7-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851998
4-methyl-5-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid
CID 82009827

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 36714293) is 7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NCc3ccccn3)nn12.
What is the InChIKey of 7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MYYWVYYMPSQHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-9-5-7-15-13-17-11(18-19(9)13)12(20)16-8-10-4-2-3-6-14-10/h2-7H,8H2,1H3,(H,16,20).
What are the key properties of 7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 36714293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).