N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline

C15H14N4 — CID 61354389

IUPACN-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
SMILESCNc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H14N4/c1-16-13-10-6-5-9-12(13)15-17-14(18-19-15)11-7-3-2-4-8-11/h2-10,16H,1H3,(H,17,18,19)
InChIKeyJVQZAGSCGBVYQW-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.18
Rot. Bonds3

About N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline

N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline (PubChem CID 61354389) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline.

Molecular Properties

Compound NameN-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
PubChem CID61354389
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
SMILESCNc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H14N4/c1-16-13-10-6-5-9-12(13)15-17-14(18-19-15)11-7-3-2-4-8-11/h2-10,16H,1H3,(H,17,18,19)
InChIKeyJVQZAGSCGBVYQW-UHFFFAOYSA-N
XLogP3.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine
CID 61319975
N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine
CID 104548872
5-(2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61343278
N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide
CID 118529738
4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 56684744
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline
CID 139456017
2-methyl-3-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 62947410
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide
CID 55990783
(2S,4S)-2-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-4-carboxamide
CID 120623836
5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole
CID 67608486
2-chloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 107051661

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline?
The IUPAC name of N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline (CID 61354389) is N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline.
What is the SMILES notation for N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline?
The canonical SMILES for N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline is CNc1ccccc1-c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline?
The InChIKey is JVQZAGSCGBVYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-16-13-10-6-5-9-12(13)15-17-14(18-19-15)11-7-3-2-4-8-11/h2-10,16H,1H3,(H,17,18,19).
What are the key properties of N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline?
N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline has a molecular weight of 250.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline is sourced from PubChem (CID 61354389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).