4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

C14H13N5O3 — CID 930150

IUPAC4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3nc(C)cc(=O)n3[nH]2)cc1
InChIInChI=1S/C14H13N5O3/c1-8-7-11(20)19-14(15-8)17-13(18-19)16-12(21)9-3-5-10(22-2)6-4-9/h3-7H,1-2H3,(H2,15,16,17,18,21)
InChIKeyHRFVJZAZSHDRLZ-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.99
Rot. Bonds3

About 4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 930150) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID930150
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3nc(C)cc(=O)n3[nH]2)cc1
InChIInChI=1S/C14H13N5O3/c1-8-7-11(20)19-14(15-8)17-13(18-19)16-12(21)9-3-5-10(22-2)6-4-9/h3-7H,1-2H3,(H2,15,16,17,18,21)
InChIKeyHRFVJZAZSHDRLZ-UHFFFAOYSA-N
XLogP0.99
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(7-oxo-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 1877725
N-(4-Methoxy-benzoyl)-N''-(4-phenyl-butyl)-guanidine
CID 9799052
2-[(2-methoxybenzyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 666933
6-benzyl-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 667143
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide
CID 930080
2-(4-Methoxyphenyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1851458
2-[(4-methoxybenzyl)amino]-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 1970334
N-(7-hydroxy-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide
CID 6485785
2-amino-5-cyclopropyl-6-[(4-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155527193
2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155536512
6-chloro-2-[(4-methoxyphenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 2037556
5-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1448299

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 930150) is 4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is COc1ccc(C(=O)Nc2nc3nc(C)cc(=O)n3[nH]2)cc1.
What is the InChIKey of 4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is HRFVJZAZSHDRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-8-7-11(20)19-14(15-8)17-13(18-19)16-12(21)9-3-5-10(22-2)6-4-9/h3-7H,1-2H3,(H2,15,16,17,18,21).
What are the key properties of 4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 299.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 930150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).