4-(1,2,4-triazol-1-yl)butan-2-amine

C6H12N4 — CID 43118947

IUPAC4-(1,2,4-triazol-1-yl)butan-2-amine
SMILESCC(N)CCn1cncn1
InChIInChI=1S/C6H12N4/c1-6(7)2-3-10-5-8-4-9-10/h4-6H,2-3,7H2,1H3
InChIKeyODGGHRYHUQOMIE-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.02
Rot. Bonds3

About 4-(1,2,4-triazol-1-yl)butan-2-amine

4-(1,2,4-triazol-1-yl)butan-2-amine (PubChem CID 43118947) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-(1,2,4-triazol-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-(1,2,4-triazol-1-yl)butan-2-amine
PubChem CID43118947
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name4-(1,2,4-triazol-1-yl)butan-2-amine
SMILESCC(N)CCn1cncn1
InChIInChI=1S/C6H12N4/c1-6(7)2-3-10-5-8-4-9-10/h4-6H,2-3,7H2,1H3
InChIKeyODGGHRYHUQOMIE-UHFFFAOYSA-N
XLogP0.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-1-yl)butan-2-amine?
The IUPAC name of 4-(1,2,4-triazol-1-yl)butan-2-amine (CID 43118947) is 4-(1,2,4-triazol-1-yl)butan-2-amine.
What is the SMILES notation for 4-(1,2,4-triazol-1-yl)butan-2-amine?
The canonical SMILES for 4-(1,2,4-triazol-1-yl)butan-2-amine is CC(N)CCn1cncn1.
What is the InChIKey of 4-(1,2,4-triazol-1-yl)butan-2-amine?
The InChIKey is ODGGHRYHUQOMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-6(7)2-3-10-5-8-4-9-10/h4-6H,2-3,7H2,1H3.
What are the key properties of 4-(1,2,4-triazol-1-yl)butan-2-amine?
4-(1,2,4-triazol-1-yl)butan-2-amine has a molecular weight of 140.19 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-1-yl)butan-2-amine is sourced from PubChem (CID 43118947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).