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

C15H15N5O3 — CID 6485785

IUPACN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3nc(C)c(C)c(=O)n3[nH]2)c1
InChIInChI=1S/C15H15N5O3/c1-8-9(2)16-15-18-14(19-20(15)13(8)22)17-12(21)10-5-4-6-11(7-10)23-3/h4-7H,1-3H3,(H2,16,17,18,19,21)
InChIKeySCROLCQFFNZWRY-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.30
Rot. Bonds3

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

N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide (PubChem CID 6485785) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide
PubChem CID6485785
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3nc(C)c(C)c(=O)n3[nH]2)c1
InChIInChI=1S/C15H15N5O3/c1-8-9(2)16-15-18-14(19-20(15)13(8)22)17-12(21)10-5-4-6-11(7-10)23-3/h4-7H,1-3H3,(H2,16,17,18,19,21)
InChIKeySCROLCQFFNZWRY-UHFFFAOYSA-N
XLogP1.30
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.30
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
6-chloro-2-[(3-methoxyphenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 2028874
2-[(2-methoxybenzyl)amino]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 666620
2-[(2-methoxybenzyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 666933
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide
CID 930080
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-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-isobutoxybenzamide
CID 2942896
3-methoxy-N-(4-oxo-3,4,5,6,7,8-hexahydro-2-quinazolinyl)benzenecarboxamide
CID 135476803
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-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155545321
2-[(2-methoxybenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
CID 1264425
N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide
CID 7342961

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide (CID 6485785) is N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc3nc(C)c(C)c(=O)n3[nH]2)c1.
What is the InChIKey of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide?
The InChIKey is SCROLCQFFNZWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-8-9(2)16-15-18-14(19-20(15)13(8)22)17-12(21)10-5-4-6-11(7-10)23-3/h4-7H,1-3H3,(H2,16,17,18,19,21).
What are the key properties of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide?
N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide has a molecular weight of 313.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 6485785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).