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

C16H19N5O2 — CID 2031439

IUPAC2-[(4-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3ccc(OC)cc3)nc2n1
InChIInChI=1S/C16H19N5O2/c1-3-4-12-9-14(22)21-16(18-12)19-15(20-21)17-10-11-5-7-13(23-2)8-6-11/h5-9H,3-4,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyGZWAVLMFNLHMFK-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.99
Rot. Bonds6

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

2-[(4-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 2031439) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID2031439
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[(4-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3ccc(OC)cc3)nc2n1
InChIInChI=1S/C16H19N5O2/c1-3-4-12-9-14(22)21-16(18-12)19-15(20-21)17-10-11-5-7-13(23-2)8-6-11/h5-9H,3-4,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyGZWAVLMFNLHMFK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-6-(4-methoxyphenyl)pyrimidin-4-ol
CID 135648979
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]-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
6-benzyl-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 667143
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-(benzylamino)-6-(4-methoxyphenyl)-4(3H)-pyrimidinone
CID 135414572
2-amino-6-{[2-(4-methoxyphenyl)ethyl]amino}-4(3H)-pyrimidinone
CID 135476459

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 2031439) is 2-[(4-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(NCc3ccc(OC)cc3)nc2n1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GZWAVLMFNLHMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-3-4-12-9-14(22)21-16(18-12)19-15(20-21)17-10-11-5-7-13(23-2)8-6-11/h5-9H,3-4,10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[(4-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-[(4-methoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2031439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).