3-(triazol-1-yl)cyclobutan-1-amine

C6H10N4 — CID 121448110

IUPAC3-(triazol-1-yl)cyclobutan-1-amine
SMILESNC1CC(n2ccnn2)C1
InChIInChI=1S/C6H10N4/c7-5-3-6(4-5)10-2-1-8-9-10/h1-2,5-6H,3-4,7H2
InChIKeyQPFCSNUKZKFEKT-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.06
Rot. Bonds1

About 3-(triazol-1-yl)cyclobutan-1-amine

3-(triazol-1-yl)cyclobutan-1-amine (PubChem CID 121448110) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-(triazol-1-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(triazol-1-yl)cyclobutan-1-amine
PubChem CID121448110
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name3-(triazol-1-yl)cyclobutan-1-amine
SMILESNC1CC(n2ccnn2)C1
InChIInChI=1S/C6H10N4/c7-5-3-6(4-5)10-2-1-8-9-10/h1-2,5-6H,3-4,7H2
InChIKeyQPFCSNUKZKFEKT-UHFFFAOYSA-N
XLogP-0.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(triazol-1-yl)cyclobutan-1-amine?
The IUPAC name of 3-(triazol-1-yl)cyclobutan-1-amine (CID 121448110) is 3-(triazol-1-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(triazol-1-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(triazol-1-yl)cyclobutan-1-amine is NC1CC(n2ccnn2)C1.
What is the InChIKey of 3-(triazol-1-yl)cyclobutan-1-amine?
The InChIKey is QPFCSNUKZKFEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c7-5-3-6(4-5)10-2-1-8-9-10/h1-2,5-6H,3-4,7H2.
What are the key properties of 3-(triazol-1-yl)cyclobutan-1-amine?
3-(triazol-1-yl)cyclobutan-1-amine has a molecular weight of 138.17 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triazol-1-yl)cyclobutan-1-amine is sourced from PubChem (CID 121448110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).