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

C15H18N4 — CID 132579937

IUPACN-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)CCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C15H18N4/c1-3-10-18(2)11-9-15-13-19(17-16-15)12-14-7-5-4-6-8-14/h1,4-8,13H,9-12H2,2H3
InChIKeyNFKCWULPFIVTRK-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.43
Rot. Bonds6

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

N-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine (PubChem CID 132579937) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
PubChem CID132579937
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)CCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C15H18N4/c1-3-10-18(2)11-9-15-13-19(17-16-15)12-14-7-5-4-6-8-14/h1,4-8,13H,9-12H2,2H3
InChIKeyNFKCWULPFIVTRK-UHFFFAOYSA-N
XLogP1.43
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine?
The IUPAC name of N-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine (CID 132579937) is N-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine is C#CCN(C)CCc1cn(Cc2ccccc2)nn1.
What is the InChIKey of N-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine?
The InChIKey is NFKCWULPFIVTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-3-10-18(2)11-9-15-13-19(17-16-15)12-14-7-5-4-6-8-14/h1,4-8,13H,9-12H2,2H3.
What are the key properties of N-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine?
N-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine has a molecular weight of 254.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 132579937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).