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

C16H19N5O2 — CID 1264005

IUPAC2-[(2-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3ccccc3OC)nc2n1
InChIInChI=1S/C16H19N5O2/c1-3-6-12-9-14(22)21-16(18-12)19-15(20-21)17-10-11-7-4-5-8-13(11)23-2/h4-5,7-9H,3,6,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyAAXDUAKAYOQJIN-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.99
Rot. Bonds6

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

2-[(2-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1264005) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1264005
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[(2-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3ccccc3OC)nc2n1
InChIInChI=1S/C16H19N5O2/c1-3-6-12-9-14(22)21-16(18-12)19-15(20-21)17-10-11-7-4-5-8-13(11)23-2/h4-5,7-9H,3,6,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyAAXDUAKAYOQJIN-UHFFFAOYSA-N
XLogP1.99
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.99
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
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-[(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
2-[(4-chloro-2-methoxyphenyl)methylamino]-7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 122190011
2-[[(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl]amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 137661134
6-chloro-2-[(4-methoxyphenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 2037556

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(2-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1264005) is 2-[(2-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(2-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(NCc3ccccc3OC)nc2n1.
What is the InChIKey of 2-[(2-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AAXDUAKAYOQJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-3-6-12-9-14(22)21-16(18-12)19-15(20-21)17-10-11-7-4-5-8-13(11)23-2/h4-5,7-9H,3,6,10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-[(2-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[(2-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 313.36 g/mol, XLogP of 1.99, 6 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-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1264005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).