2-(2-methylprop-2-enyl)triazol-4-amine

C6H10N4 — CID 165463371

IUPAC2-(2-methylprop-2-enyl)triazol-4-amine
SMILESC=C(C)Cn1ncc(N)n1
InChIInChI=1S/C6H10N4/c1-5(2)4-10-8-3-6(7)9-10/h3H,1,4H2,2H3,(H2,7,9)
InChIKeyOOQXESATVVKAJK-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.44
Rot. Bonds2

About 2-(2-methylprop-2-enyl)triazol-4-amine

2-(2-methylprop-2-enyl)triazol-4-amine (PubChem CID 165463371) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)triazol-4-amine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)triazol-4-amine
PubChem CID165463371
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name2-(2-methylprop-2-enyl)triazol-4-amine
SMILESC=C(C)Cn1ncc(N)n1
InChIInChI=1S/C6H10N4/c1-5(2)4-10-8-3-6(7)9-10/h3H,1,4H2,2H3,(H2,7,9)
InChIKeyOOQXESATVVKAJK-UHFFFAOYSA-N
XLogP0.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.44
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-(2-methylprop-2-enyl)triazol-4-amine?
The IUPAC name of 2-(2-methylprop-2-enyl)triazol-4-amine (CID 165463371) is 2-(2-methylprop-2-enyl)triazol-4-amine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)triazol-4-amine?
The canonical SMILES for 2-(2-methylprop-2-enyl)triazol-4-amine is C=C(C)Cn1ncc(N)n1.
What is the InChIKey of 2-(2-methylprop-2-enyl)triazol-4-amine?
The InChIKey is OOQXESATVVKAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-5(2)4-10-8-3-6(7)9-10/h3H,1,4H2,2H3,(H2,7,9).
What are the key properties of 2-(2-methylprop-2-enyl)triazol-4-amine?
2-(2-methylprop-2-enyl)triazol-4-amine has a molecular weight of 138.17 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)triazol-4-amine is sourced from PubChem (CID 165463371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).