2-(4-methylpentan-2-yl)triazol-4-amine

C8H16N4 — CID 165472806

IUPAC2-(4-methylpentan-2-yl)triazol-4-amine
SMILESCC(C)CC(C)n1ncc(N)n1
InChIInChI=1S/C8H16N4/c1-6(2)4-7(3)12-10-5-8(9)11-12/h5-7H,4H2,1-3H3,(H2,9,11)
InChIKeyMKGHWQSSIVQIMJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.47
Rot. Bonds3

About 2-(4-methylpentan-2-yl)triazol-4-amine

2-(4-methylpentan-2-yl)triazol-4-amine (PubChem CID 165472806) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(4-methylpentan-2-yl)triazol-4-amine.

Molecular Properties

Compound Name2-(4-methylpentan-2-yl)triazol-4-amine
PubChem CID165472806
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-(4-methylpentan-2-yl)triazol-4-amine
SMILESCC(C)CC(C)n1ncc(N)n1
InChIInChI=1S/C8H16N4/c1-6(2)4-7(3)12-10-5-8(9)11-12/h5-7H,4H2,1-3H3,(H2,9,11)
InChIKeyMKGHWQSSIVQIMJ-UHFFFAOYSA-N
XLogP1.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylpentan-2-yl)triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-yl)triazol-4-amine?
The IUPAC name of 2-(4-methylpentan-2-yl)triazol-4-amine (CID 165472806) is 2-(4-methylpentan-2-yl)triazol-4-amine.
What is the SMILES notation for 2-(4-methylpentan-2-yl)triazol-4-amine?
The canonical SMILES for 2-(4-methylpentan-2-yl)triazol-4-amine is CC(C)CC(C)n1ncc(N)n1.
What is the InChIKey of 2-(4-methylpentan-2-yl)triazol-4-amine?
The InChIKey is MKGHWQSSIVQIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)4-7(3)12-10-5-8(9)11-12/h5-7H,4H2,1-3H3,(H2,9,11).
What are the key properties of 2-(4-methylpentan-2-yl)triazol-4-amine?
2-(4-methylpentan-2-yl)triazol-4-amine has a molecular weight of 168.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-yl)triazol-4-amine is sourced from PubChem (CID 165472806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).