1-decyltriazole-4-carbaldehyde

C13H23N3O — CID 66215576

IUPAC1-decyltriazole-4-carbaldehyde
SMILESCCCCCCCCCCn1cc(C=O)nn1
InChIInChI=1S/C13H23N3O/c1-2-3-4-5-6-7-8-9-10-16-11-13(12-17)14-15-16/h11-12H,2-10H2,1H3
InChIKeyALYGVCWFKQBGBC-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.23
Rot. Bonds10

About 1-decyltriazole-4-carbaldehyde

1-decyltriazole-4-carbaldehyde (PubChem CID 66215576) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-decyltriazole-4-carbaldehyde.

Molecular Properties

Compound Name1-decyltriazole-4-carbaldehyde
PubChem CID66215576
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-decyltriazole-4-carbaldehyde
SMILESCCCCCCCCCCn1cc(C=O)nn1
InChIInChI=1S/C13H23N3O/c1-2-3-4-5-6-7-8-9-10-16-11-13(12-17)14-15-16/h11-12H,2-10H2,1H3
InChIKeyALYGVCWFKQBGBC-UHFFFAOYSA-N
XLogP3.23
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.23
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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Related Compounds

1-Methyl-1H-1,2,3-triazole-4-carboxaldehyde
CID 14313438
1-ethyl-1H-1,2,3-triazole-4-carbaldehyde
CID 14872466
1-(1-Methylethyl)-1H-1,2,3-triazole-4-carboxaldehyde
CID 14872467
1-tert-butyl-1H-1,2,3-triazole-4-carbaldehyde
CID 14872468
1-propyl-1H-1,2,3-triazole-4-carbaldehyde
CID 66213586
1-(2,2,2-Trifluoroethyl)-1H-1,2,3-triazole-4-carbaldehyde
CID 66213782
1-(2-methylpropyl)-1H-1,2,3-triazole-4-carbaldehyde
CID 66215569
1-cyclohexyl-1H-1,2,3-triazole-4-carbaldehyde
CID 66216568
1-ethyl-1H-1,2,3-triazole-5-carbaldehyde
CID 72218191
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)triazole-4-carbaldehyde
CID 71560908
1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)triazole-4-carbaldehyde
CID 139222404
1-Octyltriazole-4-carbaldehyde
CID 66215570

Frequently Asked Questions

What is the IUPAC name of 1-decyltriazole-4-carbaldehyde?
The IUPAC name of 1-decyltriazole-4-carbaldehyde (CID 66215576) is 1-decyltriazole-4-carbaldehyde.
What is the SMILES notation for 1-decyltriazole-4-carbaldehyde?
The canonical SMILES for 1-decyltriazole-4-carbaldehyde is CCCCCCCCCCn1cc(C=O)nn1.
What is the InChIKey of 1-decyltriazole-4-carbaldehyde?
The InChIKey is ALYGVCWFKQBGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-3-4-5-6-7-8-9-10-16-11-13(12-17)14-15-16/h11-12H,2-10H2,1H3.
What are the key properties of 1-decyltriazole-4-carbaldehyde?
1-decyltriazole-4-carbaldehyde has a molecular weight of 237.35 g/mol, XLogP of 3.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyltriazole-4-carbaldehyde is sourced from PubChem (CID 66215576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).