N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine

C9H14N4 — CID 155544230

IUPACN-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1cn(CC)nn1
InChIInChI=1S/C9H14N4/c1-4-6-12(3)7-9-8-13(5-2)11-10-9/h1,8H,5-7H2,2-3H3
InChIKeyBTASFENPOIDFQG-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.36
Rot. Bonds4

About N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine

N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine (PubChem CID 155544230) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine
PubChem CID155544230
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1cn(CC)nn1
InChIInChI=1S/C9H14N4/c1-4-6-12(3)7-9-8-13(5-2)11-10-9/h1,8H,5-7H2,2-3H3
InChIKeyBTASFENPOIDFQG-UHFFFAOYSA-N
XLogP0.36
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.36
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-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine?
The IUPAC name of N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine (CID 155544230) is N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine is C#CCN(C)Cc1cn(CC)nn1.
What is the InChIKey of N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine?
The InChIKey is BTASFENPOIDFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-4-6-12(3)7-9-8-13(5-2)11-10-9/h1,8H,5-7H2,2-3H3.
What are the key properties of N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine?
N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine has a molecular weight of 178.24 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 155544230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).