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

C15H13N5O2 — CID 971668

IUPAC(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N
InChIInChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19)
InChIKeyYLUMVCNEFHTQHD-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.62
Rot. Bonds3

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

(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 971668) 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)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
PubChem CID971668
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N
InChIInChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19)
InChIKeyYLUMVCNEFHTQHD-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-[5-(2-Ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 891438
(7S)-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
CID 140430627
1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
CID 4313559
4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine
CID 1872802
4-methoxy-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 145981571
3-[(2-Methoxy-benzoyl)-hydrazono]-N-pyridin-2-yl-butyramide
CID 9591626
1H-1,2,4-Triazol-5-amine, 1-(3,4-dimethoxybenzoyl)-3-(3-pyridinyl)-
CID 970336
2-methoxy-N-(2-pyridinyl)benzamide
CID 689500
2-[5-(2-Methoxyphenyl)-1,2,4-oxadiazol-3-YL]pyridine
CID 912656
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

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone (CID 971668) is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N.
What is the InChIKey of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is YLUMVCNEFHTQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/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)-(2-methoxyphenyl)methanone?
(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-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)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 971668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).