5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine

C8H16N4 — CID 13234266

IUPAC5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCCC(C)(CC)c1nc(N)n[nH]1
InChIInChI=1S/C8H16N4/c1-4-8(3,5-2)6-10-7(9)12-11-6/h4-5H2,1-3H3,(H3,9,10,11,12)
InChIKeySBDOXIAEWKSLIX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.46
Rot. Bonds3

About 5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine

5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 13234266) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID13234266
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCCC(C)(CC)c1nc(N)n[nH]1
InChIInChI=1S/C8H16N4/c1-4-8(3,5-2)6-10-7(9)12-11-6/h4-5H2,1-3H3,(H3,9,10,11,12)
InChIKeySBDOXIAEWKSLIX-UHFFFAOYSA-N
XLogP1.46
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine (CID 13234266) is 5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine is CCC(C)(CC)c1nc(N)n[nH]1.
What is the InChIKey of 5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is SBDOXIAEWKSLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-8(3,5-2)6-10-7(9)12-11-6/h4-5H2,1-3H3,(H3,9,10,11,12).
What are the key properties of 5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine?
5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 168.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 13234266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).