(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone

C15H13N5O2 — CID 971729

IUPAC(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1
InChIInChI=1S/C15H13N5O2/c1-22-12-6-4-10(5-7-12)14(21)20-15(16)18-13(19-20)11-3-2-8-17-9-11/h2-9H,1H3,(H2,16,18,19)
InChIKeyAKDDPMDJFJJCDW-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.62
Rot. Bonds3

About (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone

(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone (PubChem CID 971729) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone
PubChem CID971729
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1
InChIInChI=1S/C15H13N5O2/c1-22-12-6-4-10(5-7-12)14(21)20-15(16)18-13(19-20)11-3-2-8-17-9-11/h2-9H,1H3,(H2,16,18,19)
InChIKeyAKDDPMDJFJJCDW-UHFFFAOYSA-N
XLogP1.62
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
4-[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 789891
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
Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer
CID 1151711
4-methoxy-N-[(4-methylpyridin-2-yl)carbamoyl]benzamide
CID 1540545
4-methoxy-N-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide
CID 46237929
3-[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 678423
1H-1,2,4-Triazol-5-amine, 1-(3,4-dimethoxybenzoyl)-3-(3-pyridinyl)-
CID 970336
4-(6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-pyridinium
CID 12005512
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

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone (CID 971729) is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1.
What is the InChIKey of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone?
The InChIKey is AKDDPMDJFJJCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-22-12-6-4-10(5-7-12)14(21)20-15(16)18-13(19-20)11-3-2-8-17-9-11/h2-9H,1H3,(H2,16,18,19).
What are the key properties of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone?
(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone has a molecular weight of 295.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 971729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).