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

C15H14ClN5O3 — CID 8501552

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cc(NC(=O)c2nc3nccc(C)n3n2)c(OC)cc1Cl
InChIInChI=1S/C15H14ClN5O3/c1-8-4-5-17-15-19-13(20-21(8)15)14(22)18-10-7-11(23-2)9(16)6-12(10)24-3/h4-7H,1-3H3,(H,18,22)
InChIKeyJMCUTNZPAYUVIG-UHFFFAOYSA-N
MW347.76 g/mol
LogP2.36
Rot. Bonds4

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

N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 8501552) has the molecular formula C15H14ClN5O3 and a molecular weight of 347.76 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID8501552
Molecular FormulaC15H14ClN5O3
Molecular Weight347.76 g/mol
Exact Mass347.08
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cc(NC(=O)c2nc3nccc(C)n3n2)c(OC)cc1Cl
InChIInChI=1S/C15H14ClN5O3/c1-8-4-5-17-15-19-13(20-21(8)15)14(22)18-10-7-11(23-2)9(16)6-12(10)24-3/h4-7H,1-3H3,(H,18,22)
InChIKeyJMCUTNZPAYUVIG-UHFFFAOYSA-N
XLogP2.36
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 8501552) is N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COc1cc(NC(=O)c2nc3nccc(C)n3n2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JMCUTNZPAYUVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O3/c1-8-4-5-17-15-19-13(20-21(8)15)14(22)18-10-7-11(23-2)9(16)6-12(10)24-3/h4-7H,1-3H3,(H,18,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 347.76 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 8501552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).