2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine

C10H18N4 — CID 103072093

IUPAC2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)Cn1nc(C)nc1C
InChIInChI=1S/C10H18N4/c1-5-11-6-8(2)7-14-10(4)12-9(3)13-14/h11H,2,5-7H2,1,3-4H3
InChIKeyIOWUXSMGUIWKBY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.06
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine

2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine (PubChem CID 103072093) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine
PubChem CID103072093
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)Cn1nc(C)nc1C
InChIInChI=1S/C10H18N4/c1-5-11-6-8(2)7-14-10(4)12-9(3)13-14/h11H,2,5-7H2,1,3-4H3
InChIKeyIOWUXSMGUIWKBY-UHFFFAOYSA-N
XLogP1.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine (CID 103072093) is 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine is C=C(CNCC)Cn1nc(C)nc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine?
The InChIKey is IOWUXSMGUIWKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-5-11-6-8(2)7-14-10(4)12-9(3)13-14/h11H,2,5-7H2,1,3-4H3.
What are the key properties of 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine?
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 103072093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).