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

C6H12N4 — CID 75355685

IUPAC4-(triazol-1-yl)butan-1-amine
SMILESNCCCCn1ccnn1
InChIInChI=1S/C6H12N4/c7-3-1-2-5-10-6-4-8-9-10/h4,6H,1-3,5,7H2
InChIKeyFXQOTTKAHLPLGZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.02
Rot. Bonds4

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

4-(triazol-1-yl)butan-1-amine (PubChem CID 75355685) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-(triazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(triazol-1-yl)butan-1-amine
PubChem CID75355685
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name4-(triazol-1-yl)butan-1-amine
SMILESNCCCCn1ccnn1
InChIInChI=1S/C6H12N4/c7-3-1-2-5-10-6-4-8-9-10/h4,6H,1-3,5,7H2
InChIKeyFXQOTTKAHLPLGZ-UHFFFAOYSA-N
XLogP0.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(triazol-1-yl)butan-1-amine?
The IUPAC name of 4-(triazol-1-yl)butan-1-amine (CID 75355685) is 4-(triazol-1-yl)butan-1-amine.
What is the SMILES notation for 4-(triazol-1-yl)butan-1-amine?
The canonical SMILES for 4-(triazol-1-yl)butan-1-amine is NCCCCn1ccnn1.
What is the InChIKey of 4-(triazol-1-yl)butan-1-amine?
The InChIKey is FXQOTTKAHLPLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c7-3-1-2-5-10-6-4-8-9-10/h4,6H,1-3,5,7H2.
What are the key properties of 4-(triazol-1-yl)butan-1-amine?
4-(triazol-1-yl)butan-1-amine has a molecular weight of 140.19 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazol-1-yl)butan-1-amine is sourced from PubChem (CID 75355685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).