N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide

C15H14ClN5O4 — CID 23607384

IUPACN-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3nc(C)c(Cl)c(=O)n3[nH]2)cc1OC
InChIInChI=1S/C15H14ClN5O4/c1-7-11(16)13(23)21-15(17-7)19-14(20-21)18-12(22)8-4-5-9(24-2)10(6-8)25-3/h4-6H,1-3H3,(H2,17,18,19,20,22)
InChIKeyTWBSMXOFPXPPGW-UHFFFAOYSA-N
MW363.76 g/mol
LogP1.65
Rot. Bonds4

About N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide

N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide (PubChem CID 23607384) has the molecular formula C15H14ClN5O4 and a molecular weight of 363.76 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide
PubChem CID23607384
Molecular FormulaC15H14ClN5O4
Molecular Weight363.76 g/mol
Exact Mass363.07
IUPAC NameN-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3nc(C)c(Cl)c(=O)n3[nH]2)cc1OC
InChIInChI=1S/C15H14ClN5O4/c1-7-11(16)13(23)21-15(17-7)19-14(20-21)18-12(22)8-4-5-9(24-2)10(6-8)25-3/h4-6H,1-3H3,(H2,17,18,19,20,22)
InChIKeyTWBSMXOFPXPPGW-UHFFFAOYSA-N
XLogP1.65
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide (CID 23607384) is N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nc3nc(C)c(Cl)c(=O)n3[nH]2)cc1OC.
What is the InChIKey of N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide?
The InChIKey is TWBSMXOFPXPPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O4/c1-7-11(16)13(23)21-15(17-7)19-14(20-21)18-12(22)8-4-5-9(24-2)10(6-8)25-3/h4-6H,1-3H3,(H2,17,18,19,20,22).
What are the key properties of N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide?
N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide has a molecular weight of 363.76 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 23607384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).