5-cyclopropyl-1-pentyltriazole-4-carbaldehyde

C11H17N3O — CID 82205654

IUPAC5-cyclopropyl-1-pentyltriazole-4-carbaldehyde
SMILESCCCCCn1nnc(C=O)c1C1CC1
InChIInChI=1S/C11H17N3O/c1-2-3-4-7-14-11(9-5-6-9)10(8-15)12-13-14/h8-9H,2-7H2,1H3
InChIKeyPZFSYQCMQOWFRZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.16
Rot. Bonds6

About 5-cyclopropyl-1-pentyltriazole-4-carbaldehyde

5-cyclopropyl-1-pentyltriazole-4-carbaldehyde (PubChem CID 82205654) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-cyclopropyl-1-pentyltriazole-4-carbaldehyde.

Molecular Properties

Compound Name5-cyclopropyl-1-pentyltriazole-4-carbaldehyde
PubChem CID82205654
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-cyclopropyl-1-pentyltriazole-4-carbaldehyde
SMILESCCCCCn1nnc(C=O)c1C1CC1
InChIInChI=1S/C11H17N3O/c1-2-3-4-7-14-11(9-5-6-9)10(8-15)12-13-14/h8-9H,2-7H2,1H3
InChIKeyPZFSYQCMQOWFRZ-UHFFFAOYSA-N
XLogP2.16
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-pentyltriazole-4-carbaldehyde?
The IUPAC name of 5-cyclopropyl-1-pentyltriazole-4-carbaldehyde (CID 82205654) is 5-cyclopropyl-1-pentyltriazole-4-carbaldehyde.
What is the SMILES notation for 5-cyclopropyl-1-pentyltriazole-4-carbaldehyde?
The canonical SMILES for 5-cyclopropyl-1-pentyltriazole-4-carbaldehyde is CCCCCn1nnc(C=O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-pentyltriazole-4-carbaldehyde?
The InChIKey is PZFSYQCMQOWFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-4-7-14-11(9-5-6-9)10(8-15)12-13-14/h8-9H,2-7H2,1H3.
What are the key properties of 5-cyclopropyl-1-pentyltriazole-4-carbaldehyde?
5-cyclopropyl-1-pentyltriazole-4-carbaldehyde has a molecular weight of 207.28 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-pentyltriazole-4-carbaldehyde is sourced from PubChem (CID 82205654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).