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

C15H15N5O — CID 86072888

IUPAC3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
SMILESCOc1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C15H15N5O/c1-21-13-4-2-3-12(9-13)17-10-14-18-15(20-19-14)11-5-7-16-8-6-11/h2-9,17H,10H2,1H3,(H,18,19,20)
InChIKeyDXXLHEZKXIIHMT-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.49
Rot. Bonds5

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

3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline (PubChem CID 86072888) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
PubChem CID86072888
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
SMILESCOc1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C15H15N5O/c1-21-13-4-2-3-12(9-13)17-10-14-18-15(20-19-14)11-5-7-16-8-6-11/h2-9,17H,10H2,1H3,(H,18,19,20)
InChIKeyDXXLHEZKXIIHMT-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

(9) 1H-1,2,4-triazol-3-yl-anilines 3-F3CO(C6H4) 4-Pyridine
CID 57339840
6-(1H-imidazol-1-yl)-N-(3-methoxyphenyl)-3-pyridazinamine
CID 2982509
2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 661041
Sdccggsk-0000197.P001
CID 9604911
N-[(E)-benzylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604938
N-[(E)-[4-(ethylaminomethyl)phenyl]methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604954
N-(3,5-dimethoxyphenyl)-3-[3-(3-methoxyanilino)-1H-1,2,4-triazol-5-yl]pyridin-2-amine
CID 11166006
N-(3,5-dimethoxyphenyl)-3-[3-(4-methoxyanilino)-1H-1,2,4-triazol-5-yl]pyridin-2-amine
CID 11166007
5-methyl-N-[3-(methyloxy)phenyl]-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11174936
4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43839997
N-(3,5-dimethoxyphenyl)-3-[3-[(3-methoxyphenyl)methylamino]-1H-1,2,4-triazol-5-yl]pyridin-2-amine
CID 44405615
1-(3-methoxyphenyl)-N-(pyridin-4-ylmethylideneamino)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239989

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline?
The IUPAC name of 3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline (CID 86072888) is 3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline?
The canonical SMILES for 3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline is COc1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1.
What is the InChIKey of 3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline?
The InChIKey is DXXLHEZKXIIHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-21-13-4-2-3-12(9-13)17-10-14-18-15(20-19-14)11-5-7-16-8-6-11/h2-9,17H,10H2,1H3,(H,18,19,20).
What are the key properties of 3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline?
3-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 3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline is sourced from PubChem (CID 86072888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).