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

C19H21N5O2 — CID 5129485

IUPAC1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C(C)C)cc1
InChIInChI=1S/C19H21N5O2/c1-13(2)18(25)24-19(21-11-14-6-8-16(26-3)9-7-14)22-17(23-24)15-5-4-10-20-12-15/h4-10,12-13H,11H2,1-3H3,(H,21,22,23)
InChIKeyOYPHTBKTZCNURT-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.26
Rot. Bonds6

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

1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one (PubChem CID 5129485) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
PubChem CID5129485
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C(C)C)cc1
InChIInChI=1S/C19H21N5O2/c1-13(2)18(25)24-19(21-11-14-6-8-16(26-3)9-7-14)22-17(23-24)15-5-4-10-20-12-15/h4-10,12-13H,11H2,1-3H3,(H,21,22,23)
InChIKeyOYPHTBKTZCNURT-UHFFFAOYSA-N
XLogP3.26
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-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
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
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
N-[5-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42599880
N-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide
CID 59589877

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one (CID 5129485) is 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one is COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C(C)C)cc1.
What is the InChIKey of 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one?
The InChIKey is OYPHTBKTZCNURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13(2)18(25)24-19(21-11-14-6-8-16(26-3)9-7-14)22-17(23-24)15-5-4-10-20-12-15/h4-10,12-13H,11H2,1-3H3,(H,21,22,23).
What are the key properties of 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one?
1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one has a molecular weight of 351.41 g/mol, XLogP of 3.26, 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]-2-methylpropan-1-one is sourced from PubChem (CID 5129485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).