3-(1,2,4-triazol-4-yl)cyclobutan-1-amine

C6H10N4 — CID 62268416

IUPAC3-(1,2,4-triazol-4-yl)cyclobutan-1-amine
SMILESNC1CC(n2cnnc2)C1
InChIInChI=1S/C6H10N4/c7-5-1-6(2-5)10-3-8-9-4-10/h3-6H,1-2,7H2
InChIKeyLAKBSQAKEVSHRP-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.06
Rot. Bonds1

About 3-(1,2,4-triazol-4-yl)cyclobutan-1-amine

3-(1,2,4-triazol-4-yl)cyclobutan-1-amine (PubChem CID 62268416) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-(1,2,4-triazol-4-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(1,2,4-triazol-4-yl)cyclobutan-1-amine
PubChem CID62268416
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name3-(1,2,4-triazol-4-yl)cyclobutan-1-amine
SMILESNC1CC(n2cnnc2)C1
InChIInChI=1S/C6H10N4/c7-5-1-6(2-5)10-3-8-9-4-10/h3-6H,1-2,7H2
InChIKeyLAKBSQAKEVSHRP-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-(1,2,4-triazol-4-yl)cyclobutan-1-amine?
The IUPAC name of 3-(1,2,4-triazol-4-yl)cyclobutan-1-amine (CID 62268416) is 3-(1,2,4-triazol-4-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(1,2,4-triazol-4-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(1,2,4-triazol-4-yl)cyclobutan-1-amine is NC1CC(n2cnnc2)C1.
What is the InChIKey of 3-(1,2,4-triazol-4-yl)cyclobutan-1-amine?
The InChIKey is LAKBSQAKEVSHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c7-5-1-6(2-5)10-3-8-9-4-10/h3-6H,1-2,7H2.
What are the key properties of 3-(1,2,4-triazol-4-yl)cyclobutan-1-amine?
3-(1,2,4-triazol-4-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-(1,2,4-triazol-4-yl)cyclobutan-1-amine is sourced from PubChem (CID 62268416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).