N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine

C17H18N4 — CID 104548872

IUPACN-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine
SMILESCNCCc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H18N4/c1-18-12-11-13-7-5-6-10-15(13)17-19-16(20-21-17)14-8-3-2-4-9-14/h2-10,18H,11-12H2,1H3,(H,19,20,21)
InChIKeyDLDHUOVGMXZREN-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.90
Rot. Bonds5

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

N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine (PubChem CID 104548872) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine
PubChem CID104548872
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine
SMILESCNCCc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H18N4/c1-18-12-11-13-7-5-6-10-15(13)17-19-16(20-21-17)14-8-3-2-4-9-14/h2-10,18H,11-12H2,1H3,(H,19,20,21)
InChIKeyDLDHUOVGMXZREN-UHFFFAOYSA-N
XLogP2.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 61354389
5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole
CID 67608486
[2-ethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]methanamine
CID 174693862
5-(2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61343278
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
3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole
CID 20715188
N-methyl-2-[2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine
CID 104547214
ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 143481678
3,5-diphenyl-1H-1,2,4-triazole;2H-triazole
CID 175519989
2-chloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 107051661
5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 4730439

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine (CID 104548872) is N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine is CNCCc1ccccc1-c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine?
The InChIKey is DLDHUOVGMXZREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-18-12-11-13-7-5-6-10-15(13)17-19-16(20-21-17)14-8-3-2-4-9-14/h2-10,18H,11-12H2,1H3,(H,19,20,21).
What are the key properties of N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine?
N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine is sourced from PubChem (CID 104548872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).