N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C13H13N5O3 — CID 135642826

IUPACN-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)Nc3ncnn32)c1
InChIInChI=1S/C13H13N5O3/c1-21-9-4-2-3-8(5-9)16-12(20)10-6-11(19)17-13-14-7-15-18(10)13/h2-5,7,10H,6H2,1H3,(H,16,20)(H,14,15,17,19)
InChIKeyCBQQOPOPWYUFDV-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.81
Rot. Bonds3

About N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135642826) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135642826
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC NameN-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)Nc3ncnn32)c1
InChIInChI=1S/C13H13N5O3/c1-21-9-4-2-3-8(5-9)16-12(20)10-6-11(19)17-13-14-7-15-18(10)13/h2-5,7,10H,6H2,1H3,(H,16,20)(H,14,15,17,19)
InChIKeyCBQQOPOPWYUFDV-UHFFFAOYSA-N
XLogP0.81
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
CID 661822
N-(2-ethoxyphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 2981350
N-(3,4-dimethoxyphenyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-3-piperidinamine
CID 24793855
N-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 4887865
N-(2,5-dimethoxyphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 2969500
N-(3-methoxyphenyl)-2-(5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 135629982
1-[3-(4-Methoxyanilino)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 24790754
2-(5-oxo-5,6-dihydro-4H-imidazo[1,2-b][1,2,4]triazol-6-yl)-N-(3-(trifluoromethoxy)phenyl)acetamide
CID 135635986
N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 1601531
N-(3-methoxyphenyl)-3-{1-[2-(1H-1,2,4-triazol-1-yl)propanoyl]-4-piperidinyl}propanamide
CID 45194693
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-5,6-dihydro-4H-imidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135636003
N-(4-methoxyphenyl)-2-(5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 135636872

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 135642826) is N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is COc1cccc(NC(=O)C2CC(=O)Nc3ncnn32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is CBQQOPOPWYUFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-21-9-4-2-3-8(5-9)16-12(20)10-6-11(19)17-13-14-7-15-18(10)13/h2-5,7,10H,6H2,1H3,(H,16,20)(H,14,15,17,19).
What are the key properties of N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135642826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).