N-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H17N5O2 — CID 2122002

IUPACN-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C16H17N5O2/c1-9-5-6-13(23-4)12(7-9)18-15(22)14-19-16-17-10(2)8-11(3)21(16)20-14/h5-8H,1-4H3,(H,18,22)
InChIKeyKTQNSDOSPMGHQH-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.31
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2122002) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2122002
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C16H17N5O2/c1-9-5-6-13(23-4)12(7-9)18-15(22)14-19-16-17-10(2)8-11(3)21(16)20-14/h5-8H,1-4H3,(H,18,22)
InChIKeyKTQNSDOSPMGHQH-UHFFFAOYSA-N
XLogP2.31
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2122002) is N-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(C)cc1NC(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is KTQNSDOSPMGHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-9-5-6-13(23-4)12(7-9)18-15(22)14-19-16-17-10(2)8-11(3)21(16)20-14/h5-8H,1-4H3,(H,18,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2122002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).