1-(2-methylbutyl)triazol-4-amine

C7H14N4 — CID 79531086

IUPAC1-(2-methylbutyl)triazol-4-amine
SMILESCCC(C)Cn1cc(N)nn1
InChIInChI=1S/C7H14N4/c1-3-6(2)4-11-5-7(8)9-10-11/h5-6H,3-4,8H2,1-2H3
InChIKeySNUIUWQGOZIFJB-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.91
Rot. Bonds3

About 1-(2-methylbutyl)triazol-4-amine

1-(2-methylbutyl)triazol-4-amine (PubChem CID 79531086) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-(2-methylbutyl)triazol-4-amine.

Molecular Properties

Compound Name1-(2-methylbutyl)triazol-4-amine
PubChem CID79531086
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-(2-methylbutyl)triazol-4-amine
SMILESCCC(C)Cn1cc(N)nn1
InChIInChI=1S/C7H14N4/c1-3-6(2)4-11-5-7(8)9-10-11/h5-6H,3-4,8H2,1-2H3
InChIKeySNUIUWQGOZIFJB-UHFFFAOYSA-N
XLogP0.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)triazol-4-amine?
The IUPAC name of 1-(2-methylbutyl)triazol-4-amine (CID 79531086) is 1-(2-methylbutyl)triazol-4-amine.
What is the SMILES notation for 1-(2-methylbutyl)triazol-4-amine?
The canonical SMILES for 1-(2-methylbutyl)triazol-4-amine is CCC(C)Cn1cc(N)nn1.
What is the InChIKey of 1-(2-methylbutyl)triazol-4-amine?
The InChIKey is SNUIUWQGOZIFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-6(2)4-11-5-7(8)9-10-11/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 1-(2-methylbutyl)triazol-4-amine?
1-(2-methylbutyl)triazol-4-amine has a molecular weight of 154.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)triazol-4-amine is sourced from PubChem (CID 79531086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).