(3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine

C12H20N4 — CID 105476755

IUPAC(3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine
SMILESNCc1c(C2CCCC2)nnn1C1CCC1
InChIInChI=1S/C12H20N4/c13-8-11-12(9-4-1-2-5-9)14-15-16(11)10-6-3-7-10/h9-10H,1-8,13H2
InChIKeyLLPTWTDMZDKPEP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.12
Rot. Bonds3

About (3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine

(3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine (PubChem CID 105476755) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine
PubChem CID105476755
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine
SMILESNCc1c(C2CCCC2)nnn1C1CCC1
InChIInChI=1S/C12H20N4/c13-8-11-12(9-4-1-2-5-9)14-15-16(11)10-6-3-7-10/h9-10H,1-8,13H2
InChIKeyLLPTWTDMZDKPEP-UHFFFAOYSA-N
XLogP2.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine?
The IUPAC name of (3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine (CID 105476755) is (3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine.
What is the SMILES notation for (3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine?
The canonical SMILES for (3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine is NCc1c(C2CCCC2)nnn1C1CCC1.
What is the InChIKey of (3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine?
The InChIKey is LLPTWTDMZDKPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c13-8-11-12(9-4-1-2-5-9)14-15-16(11)10-6-3-7-10/h9-10H,1-8,13H2.
What are the key properties of (3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine?
(3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine is sourced from PubChem (CID 105476755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).