1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde

C12H17N3O — CID 105474430

IUPAC1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde
SMILESO=Cc1nnn(C2CCCCC2)c1C1CC1
InChIInChI=1S/C12H17N3O/c16-8-11-12(9-6-7-9)15(14-13-11)10-4-2-1-3-5-10/h8-10H,1-7H2
InChIKeyGJQSLGUUQGXQRU-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.47
Rot. Bonds3

About 1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde

1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde (PubChem CID 105474430) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde
PubChem CID105474430
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde
SMILESO=Cc1nnn(C2CCCCC2)c1C1CC1
InChIInChI=1S/C12H17N3O/c16-8-11-12(9-6-7-9)15(14-13-11)10-4-2-1-3-5-10/h8-10H,1-7H2
InChIKeyGJQSLGUUQGXQRU-UHFFFAOYSA-N
XLogP2.47
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde?
The IUPAC name of 1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde (CID 105474430) is 1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde.
What is the SMILES notation for 1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde?
The canonical SMILES for 1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde is O=Cc1nnn(C2CCCCC2)c1C1CC1.
What is the InChIKey of 1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde?
The InChIKey is GJQSLGUUQGXQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-8-11-12(9-6-7-9)15(14-13-11)10-4-2-1-3-5-10/h8-10H,1-7H2.
What are the key properties of 1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde?
1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde has a molecular weight of 219.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde is sourced from PubChem (CID 105474430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).