1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine

C12H18N4 — CID 68909669

IUPAC1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine
SMILESNC1(c2nnc(C3CC3)n2C2CC2)CCC1
InChIInChI=1S/C12H18N4/c13-12(6-1-7-12)11-15-14-10(8-2-3-8)16(11)9-4-5-9/h8-9H,1-7,13H2
InChIKeyUTAGJHWFJLQSPX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.83
Rot. Bonds3

About 1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine

1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine (PubChem CID 68909669) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine
PubChem CID68909669
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine
SMILESNC1(c2nnc(C3CC3)n2C2CC2)CCC1
InChIInChI=1S/C12H18N4/c13-12(6-1-7-12)11-15-14-10(8-2-3-8)16(11)9-4-5-9/h8-9H,1-7,13H2
InChIKeyUTAGJHWFJLQSPX-UHFFFAOYSA-N
XLogP1.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine?
The IUPAC name of 1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine (CID 68909669) is 1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine is NC1(c2nnc(C3CC3)n2C2CC2)CCC1.
What is the InChIKey of 1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine?
The InChIKey is UTAGJHWFJLQSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c13-12(6-1-7-12)11-15-14-10(8-2-3-8)16(11)9-4-5-9/h8-9H,1-7,13H2.
What are the key properties of 1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine?
1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutan-1-amine is sourced from PubChem (CID 68909669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).