2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline

C15H15N5O — CID 86072887

IUPAC2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
SMILESCOc1ccccc1NCc1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C15H15N5O/c1-21-13-5-3-2-4-12(13)17-10-14-18-15(20-19-14)11-6-8-16-9-7-11/h2-9,17H,10H2,1H3,(H,18,19,20)
InChIKeyYQQMTONPSVGVKP-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.49
Rot. Bonds5

About 2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline

2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline (PubChem CID 86072887) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
PubChem CID86072887
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
SMILESCOc1ccccc1NCc1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C15H15N5O/c1-21-13-5-3-2-4-12(13)17-10-14-18-15(20-19-14)11-6-8-16-9-7-11/h2-9,17H,10H2,1H3,(H,18,19,20)
InChIKeyYQQMTONPSVGVKP-UHFFFAOYSA-N
XLogP2.49
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 56595693
Piperazine, 1-(2-methoxyphenyl)-4-[(2-phenyl-1H-imidazol-4-yl)methyl]-
CID 2812858
N-(2-Methoxy-phenyl)-2-(5-pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 866190
N-(2-Methoxy-phenyl)-2-(5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 3161718
4-(3-(4-isobutoxy-3-nitrophenyl)-1H-1,2,4-triazol-5-yl)pyridine
CID 12991055
4-(3-(4-methoxy-3-nitrophenyl)-1H-1,2,4-triazol-5-yl)-2-methylpyridine
CID 22032889
4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43839997
n3-(2-Methoxy-phenyl)-1-pyridin-2-yl-1h-[1,2,4]triazole-3,5-diamine
CID 56595687
3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 86072888
3-phenoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 86072920
3-(2-phenylethoxy)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 137631658
3-phenylmethoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 137655381

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline?
The IUPAC name of 2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline (CID 86072887) is 2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline is COc1ccccc1NCc1nc(-c2ccncc2)n[nH]1.
What is the InChIKey of 2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline?
The InChIKey is YQQMTONPSVGVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-21-13-5-3-2-4-12(13)17-10-14-18-15(20-19-14)11-6-8-16-9-7-11/h2-9,17H,10H2,1H3,(H,18,19,20).
What are the key properties of 2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline?
2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline has a molecular weight of 281.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline is sourced from PubChem (CID 86072887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).