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

C6H12N4 — CID 79530202

IUPAC1-(2-methylpropyl)triazol-4-amine
SMILESCC(C)Cn1cc(N)nn1
InChIInChI=1S/C6H12N4/c1-5(2)3-10-4-6(7)8-9-10/h4-5H,3,7H2,1-2H3
InChIKeyHSTOIWOOYHOCCT-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.52
Rot. Bonds2

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

1-(2-methylpropyl)triazol-4-amine (PubChem CID 79530202) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(2-methylpropyl)triazol-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)triazol-4-amine
PubChem CID79530202
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-(2-methylpropyl)triazol-4-amine
SMILESCC(C)Cn1cc(N)nn1
InChIInChI=1S/C6H12N4/c1-5(2)3-10-4-6(7)8-9-10/h4-5H,3,7H2,1-2H3
InChIKeyHSTOIWOOYHOCCT-UHFFFAOYSA-N
XLogP0.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)triazol-4-amine?
The IUPAC name of 1-(2-methylpropyl)triazol-4-amine (CID 79530202) is 1-(2-methylpropyl)triazol-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)triazol-4-amine?
The canonical SMILES for 1-(2-methylpropyl)triazol-4-amine is CC(C)Cn1cc(N)nn1.
What is the InChIKey of 1-(2-methylpropyl)triazol-4-amine?
The InChIKey is HSTOIWOOYHOCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5(2)3-10-4-6(7)8-9-10/h4-5H,3,7H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)triazol-4-amine?
1-(2-methylpropyl)triazol-4-amine has a molecular weight of 140.19 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)triazol-4-amine is sourced from PubChem (CID 79530202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).