N-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine

C16H20N4 — CID 155555780

IUPACN-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)CCc1nnn(-c2ccccc2)c1CC
InChIInChI=1S/C16H20N4/c1-4-12-19(3)13-11-15-16(5-2)20(18-17-15)14-9-7-6-8-10-14/h1,6-10H,5,11-13H2,2-3H3
InChIKeyAAJPMPHDJZLUEE-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.94
Rot. Bonds6

About N-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine

N-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine (PubChem CID 155555780) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
PubChem CID155555780
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)CCc1nnn(-c2ccccc2)c1CC
InChIInChI=1S/C16H20N4/c1-4-12-19(3)13-11-15-16(5-2)20(18-17-15)14-9-7-6-8-10-14/h1,6-10H,5,11-13H2,2-3H3
InChIKeyAAJPMPHDJZLUEE-UHFFFAOYSA-N
XLogP1.94
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1-phenyl-1H-1,2,3-triazol-4-yl)methanamine
CID 18526002
1-phenyl-1H,4H,5H,6H,7H-(1,2,3)triazolo(4,5-c)pyridine
CID 1108279
1-Phenyl-4-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]piperazine
CID 44412268
4-ethyl-1-phenyl-1H-1,2,3-triazole
CID 53244246
N-((1-(3,4-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)methyl)cyclopentanamine
CID 45269349
1-Phenyl-4-vinyl-1H-1,2,3-triazole
CID 53473125
1H-1,2,3-Triazole, 4-methyl-1-phenyl-
CID 281035
1H-1,2,3-Triazole, 5-methyl-1-phenyl-
CID 555558
4-[[1-(4-Fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine
CID 53014972
1-hexyl-5-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 145988381
5-(4-fluorophenyl)-1-hexyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 145991832
N-methyl-N-[2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethyl]prop-2-yn-1-amine
CID 155549619

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine?
The IUPAC name of N-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine (CID 155555780) is N-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine is C#CCN(C)CCc1nnn(-c2ccccc2)c1CC.
What is the InChIKey of N-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine?
The InChIKey is AAJPMPHDJZLUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-4-12-19(3)13-11-15-16(5-2)20(18-17-15)14-9-7-6-8-10-14/h1,6-10H,5,11-13H2,2-3H3.
What are the key properties of N-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine?
N-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine has a molecular weight of 268.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 155555780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).