1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one

C18H19N5O2 — CID 2243127

IUPAC1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
SMILESCCC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(OC)cc1
InChIInChI=1S/C18H19N5O2/c1-3-16(24)23-18(20-11-13-6-8-15(25-2)9-7-13)21-17(22-23)14-5-4-10-19-12-14/h4-10,12H,3,11H2,1-2H3,(H,20,21,22)
InChIKeyLTLBZXAVYNJTAK-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.01
Rot. Bonds6

About 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one

1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one (PubChem CID 2243127) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
PubChem CID2243127
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
SMILESCCC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(OC)cc1
InChIInChI=1S/C18H19N5O2/c1-3-16(24)23-18(20-11-13-6-8-15(25-2)9-7-13)21-17(22-23)14-5-4-10-19-12-14/h4-10,12H,3,11H2,1-2H3,(H,20,21,22)
InChIKeyLTLBZXAVYNJTAK-UHFFFAOYSA-N
XLogP3.01
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one with MolForge

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Related Compounds

1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
CID 4313559
(5-Amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
CID 971668
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
1H-1,2,4-Triazol-5-amine, 1-(3,4-dimethoxybenzoyl)-3-(3-pyridinyl)-
CID 970336
1-(2-furoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 2235222
N-benzyl-1-(2-methoxybenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 2983598
N-(4-methoxybenzyl)-1-(3-methylbutanoyl)-3-pyridin-3-yl-1H-1,2,4-triazol-5-amine
CID 3360319
1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one
CID 4007214
1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 5129485
N-(6-(3,4-Dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
CID 25128667
N-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 25128668
N-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 25132806

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one?
The IUPAC name of 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one (CID 2243127) is 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one.
What is the SMILES notation for 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one?
The canonical SMILES for 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one is CCC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(OC)cc1.
What is the InChIKey of 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one?
The InChIKey is LTLBZXAVYNJTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-3-16(24)23-18(20-11-13-6-8-15(25-2)9-7-13)21-17(22-23)14-5-4-10-19-12-14/h4-10,12H,3,11H2,1-2H3,(H,20,21,22).
What are the key properties of 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one?
1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one has a molecular weight of 337.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one is sourced from PubChem (CID 2243127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).