2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H17N5O2 — CID 666620

IUPAC2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1CNc1nc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C15H17N5O2/c1-9-10(2)17-15-18-14(19-20(15)13(9)21)16-8-11-6-4-5-7-12(11)22-3/h4-7H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyQZVHWWANWHDTLJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.66
Rot. Bonds4

About 2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 666620) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID666620
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1CNc1nc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C15H17N5O2/c1-9-10(2)17-15-18-14(19-20(15)13(9)21)16-8-11-6-4-5-7-12(11)22-3/h4-7H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyQZVHWWANWHDTLJ-UHFFFAOYSA-N
XLogP1.66
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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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
6-Chloro-2-[(3,4-dimethoxybenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666029
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-[(3,4-dimethoxybenzyl)amino]-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1265172
2-(4-Methoxyphenyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1851458
Methyl {2-[(2-methoxybenzyl)amino]-5-methyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
CID 1960346
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-[[(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl]amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 137661134
2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155536512

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 666620) is 2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COc1ccccc1CNc1nc2nc(C)c(C)c(=O)n2[nH]1.
What is the InChIKey of 2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QZVHWWANWHDTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9-10(2)17-15-18-14(19-20(15)13(9)21)16-8-11-6-4-5-7-12(11)22-3/h4-7H,8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 299.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 666620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).