4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine

C8H16N4 — CID 163277327

IUPAC4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine
SMILESCC(C)CC(N)Cn1cncn1
InChIInChI=1S/C8H16N4/c1-7(2)3-8(9)4-12-6-10-5-11-12/h5-8H,3-4,9H2,1-2H3
InChIKeyLACNQDOWUWUBJO-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.65
Rot. Bonds4

About 4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine

4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine (PubChem CID 163277327) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine
PubChem CID163277327
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine
SMILESCC(C)CC(N)Cn1cncn1
InChIInChI=1S/C8H16N4/c1-7(2)3-8(9)4-12-6-10-5-11-12/h5-8H,3-4,9H2,1-2H3
InChIKeyLACNQDOWUWUBJO-UHFFFAOYSA-N
XLogP0.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The IUPAC name of 4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine (CID 163277327) is 4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine.
What is the SMILES notation for 4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The canonical SMILES for 4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine is CC(C)CC(N)Cn1cncn1.
What is the InChIKey of 4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The InChIKey is LACNQDOWUWUBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-7(2)3-8(9)4-12-6-10-5-11-12/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine is sourced from PubChem (CID 163277327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).