7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

C14H12N8O — CID 157012047

IUPAC7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(C(=O)Nc3cccc4nn(C)nc34)nnc2n1
InChIInChI=1S/C14H12N8O/c1-8-6-7-22-12(17-18-14(22)15-8)13(23)16-9-4-3-5-10-11(9)20-21(2)19-10/h3-7H,1-2H3,(H,16,23)
InChIKeyVLHOHAANDAVAIY-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.97
Rot. Bonds2

About 7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (PubChem CID 157012047) has the molecular formula C14H12N8O and a molecular weight of 308.31 g/mol. Its IUPAC name is 7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
PubChem CID157012047
Molecular FormulaC14H12N8O
Molecular Weight308.31 g/mol
Exact Mass308.11
IUPAC Name7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(C(=O)Nc3cccc4nn(C)nc34)nnc2n1
InChIInChI=1S/C14H12N8O/c1-8-6-7-22-12(17-18-14(22)15-8)13(23)16-9-4-3-5-10-11(9)20-21(2)19-10/h3-7H,1-2H3,(H,16,23)
InChIKeyVLHOHAANDAVAIY-UHFFFAOYSA-N
XLogP0.97
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 126448335
4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511961
7-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 77082153
3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide
CID 134709498
4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709128
7-methyl-N-[4-[(2S)-oxolan-2-yl]butyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 126435888
1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 74240112
1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071122
N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 119060735
N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide
CID 175533892
N-(3-methylquinoxalin-5-yl)benzamide
CID 141198352
5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 70748915

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (CID 157012047) is 7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is Cc1ccn2c(C(=O)Nc3cccc4nn(C)nc34)nnc2n1.
What is the InChIKey of 7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The InChIKey is VLHOHAANDAVAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N8O/c1-8-6-7-22-12(17-18-14(22)15-8)13(23)16-9-4-3-5-10-11(9)20-21(2)19-10/h3-7H,1-2H3,(H,16,23).
What are the key properties of 7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide has a molecular weight of 308.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157012047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).