N-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C14H15N5O4 — CID 2969500

IUPACN-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC(=O)n3ncnc3N2)c1
InChIInChI=1S/C14H15N5O4/c1-22-8-3-4-11(23-2)9(5-8)17-13(21)10-6-12(20)19-14(18-10)15-7-16-19/h3-5,7,10H,6H2,1-2H3,(H,17,21)(H,15,16,18)
InChIKeyJRLXFBNZRDUMBO-UHFFFAOYSA-N
MW317.31 g/mol
LogP0.76
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

N-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 2969500) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID2969500
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC NameN-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC(=O)n3ncnc3N2)c1
InChIInChI=1S/C14H15N5O4/c1-22-8-3-4-11(23-2)9(5-8)17-13(21)10-6-12(20)19-14(18-10)15-7-16-19/h3-5,7,10H,6H2,1-2H3,(H,17,21)(H,15,16,18)
InChIKeyJRLXFBNZRDUMBO-UHFFFAOYSA-N
XLogP0.76
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide
CID 110696823
(3R)-N-(2,5-dimethoxyphenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 100825016
(7R)-N-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 136865734
1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687575
N-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6484636
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
CID 807343
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
N-(2,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160116
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950
N-(2,5-dimethoxyphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427861

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 2969500) is N-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccc(OC)c(NC(=O)C2CC(=O)n3ncnc3N2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is JRLXFBNZRDUMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-22-8-3-4-11(23-2)9(5-8)17-13(21)10-6-12(20)19-14(18-10)15-7-16-19/h3-5,7,10H,6H2,1-2H3,(H,17,21)(H,15,16,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 2969500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).