2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine

C9H16N4 — CID 164663726

IUPAC2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine
SMILESCn1nnc(CCN)c1C1CCC1
InChIInChI=1S/C9H16N4/c1-13-9(7-3-2-4-7)8(5-6-10)11-12-13/h7H,2-6,10H2,1H3
InChIKeyMNKYMUCJJZZWQR-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.58
Rot. Bonds3

About 2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine

2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine (PubChem CID 164663726) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine
PubChem CID164663726
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine
SMILESCn1nnc(CCN)c1C1CCC1
InChIInChI=1S/C9H16N4/c1-13-9(7-3-2-4-7)8(5-6-10)11-12-13/h7H,2-6,10H2,1H3
InChIKeyMNKYMUCJJZZWQR-UHFFFAOYSA-N
XLogP0.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine (CID 164663726) is 2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine is Cn1nnc(CCN)c1C1CCC1.
What is the InChIKey of 2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine?
The InChIKey is MNKYMUCJJZZWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13-9(7-3-2-4-7)8(5-6-10)11-12-13/h7H,2-6,10H2,1H3.
What are the key properties of 2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine?
2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine has a molecular weight of 180.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 164663726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).