4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine

C11H20N4 — CID 104539266

IUPAC4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine
SMILESNCCCCc1cn(CCC2CC2)nn1
InChIInChI=1S/C11H20N4/c12-7-2-1-3-11-9-15(14-13-11)8-6-10-4-5-10/h9-10H,1-8,12H2
InChIKeyQYHZPAPOOKGMHO-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.36
Rot. Bonds7

About 4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine

4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine (PubChem CID 104539266) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine
PubChem CID104539266
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine
SMILESNCCCCc1cn(CCC2CC2)nn1
InChIInChI=1S/C11H20N4/c12-7-2-1-3-11-9-15(14-13-11)8-6-10-4-5-10/h9-10H,1-8,12H2
InChIKeyQYHZPAPOOKGMHO-UHFFFAOYSA-N
XLogP1.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-cyclopropylethyl)triazol-4-yl]propanoic acid
CID 107460777
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
CID 66194675
4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine
CID 113424701
4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 103142980
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
4-[1-(oxan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 113424709
4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine
CID 113424708
4-[1-(2-thiophen-3-ylethyl)triazol-4-yl]butan-1-amine
CID 113424691
2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine
CID 116642242

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine?
The IUPAC name of 4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine (CID 104539266) is 4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine.
What is the SMILES notation for 4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine?
The canonical SMILES for 4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine is NCCCCc1cn(CCC2CC2)nn1.
What is the InChIKey of 4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine?
The InChIKey is QYHZPAPOOKGMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-7-2-1-3-11-9-15(14-13-11)8-6-10-4-5-10/h9-10H,1-8,12H2.
What are the key properties of 4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine?
4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine is sourced from PubChem (CID 104539266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).