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

C17H19N5O3 — CID 7751290

IUPACN-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1OC
InChIInChI=1S/C17H19N5O3/c1-9-6-13(24-4)14(25-5)8-12(9)19-16(23)15-20-17-18-10(2)7-11(3)22(17)21-15/h6-8H,1-5H3,(H,19,23)
InChIKeyASQYTPCZLRWNAT-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.32
Rot. Bonds4

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

N-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 7751290) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID7751290
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1OC
InChIInChI=1S/C17H19N5O3/c1-9-6-13(24-4)14(25-5)8-12(9)19-16(23)15-20-17-18-10(2)7-11(3)22(17)21-15/h6-8H,1-5H3,(H,19,23)
InChIKeyASQYTPCZLRWNAT-UHFFFAOYSA-N
XLogP2.32
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 7751290) is N-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COc1cc(C)c(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ASQYTPCZLRWNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-9-6-13(24-4)14(25-5)8-12(9)19-16(23)15-20-17-18-10(2)7-11(3)22(17)21-15/h6-8H,1-5H3,(H,19,23).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 7751290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).