10-(1-propan-2-yltriazol-4-yl)decan-2-one

C15H27N3O — CID 171604521

IUPAC10-(1-propan-2-yltriazol-4-yl)decan-2-one
SMILESCC(=O)CCCCCCCCc1cn(C(C)C)nn1
InChIInChI=1S/C15H27N3O/c1-13(2)18-12-15(16-17-18)11-9-7-5-4-6-8-10-14(3)19/h12-13H,4-11H2,1-3H3
InChIKeyKDDHVZWMDZELSG-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.72
Rot. Bonds10

About 10-(1-propan-2-yltriazol-4-yl)decan-2-one

10-(1-propan-2-yltriazol-4-yl)decan-2-one (PubChem CID 171604521) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 10-(1-propan-2-yltriazol-4-yl)decan-2-one.

Molecular Properties

Compound Name10-(1-propan-2-yltriazol-4-yl)decan-2-one
PubChem CID171604521
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name10-(1-propan-2-yltriazol-4-yl)decan-2-one
SMILESCC(=O)CCCCCCCCc1cn(C(C)C)nn1
InChIInChI=1S/C15H27N3O/c1-13(2)18-12-15(16-17-18)11-9-7-5-4-6-8-10-14(3)19/h12-13H,4-11H2,1-3H3
InChIKeyKDDHVZWMDZELSG-UHFFFAOYSA-N
XLogP3.72
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide
CID 164864596
2-[5-(1-propan-2-yltriazol-4-yl)pentyl]propanedioic acid
CID 172570749
3-methyl-1-(1-propan-2-yltriazol-4-yl)butan-2-one
CID 118041108
N-propan-2-yl-2-(1-propan-2-yltriazol-4-yl)acetamide
CID 155773037
2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62401695
3-(4-butyltriazol-1-yl)octan-2-one
CID 163428845
ethyl (E)-5-(1-propan-2-yltriazol-4-yl)pent-2-enoate
CID 140750346
5-[1-(3-methylbutyl)triazol-4-yl]pentanoic acid
CID 104538635
N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide
CID 160790672
2-(2-methylpropanoyl)-6-[3-(1-propan-2-yltriazol-4-yl)propanoylamino]hexanamide
CID 170201705
2-[4-(4-aminobutyl)triazol-1-yl]-N-butylpropanamide
CID 106209360
4-[9-(1-propyltriazol-4-yl)nonylsulfanyl]butan-2-one
CID 121444425

Frequently Asked Questions

What is the IUPAC name of 10-(1-propan-2-yltriazol-4-yl)decan-2-one?
The IUPAC name of 10-(1-propan-2-yltriazol-4-yl)decan-2-one (CID 171604521) is 10-(1-propan-2-yltriazol-4-yl)decan-2-one.
What is the SMILES notation for 10-(1-propan-2-yltriazol-4-yl)decan-2-one?
The canonical SMILES for 10-(1-propan-2-yltriazol-4-yl)decan-2-one is CC(=O)CCCCCCCCc1cn(C(C)C)nn1.
What is the InChIKey of 10-(1-propan-2-yltriazol-4-yl)decan-2-one?
The InChIKey is KDDHVZWMDZELSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13(2)18-12-15(16-17-18)11-9-7-5-4-6-8-10-14(3)19/h12-13H,4-11H2,1-3H3.
What are the key properties of 10-(1-propan-2-yltriazol-4-yl)decan-2-one?
10-(1-propan-2-yltriazol-4-yl)decan-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.72, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-propan-2-yltriazol-4-yl)decan-2-one is sourced from PubChem (CID 171604521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).