5-(4-propan-2-yltriazol-1-yl)pentan-2-one

C10H17N3O — CID 139306328

IUPAC5-(4-propan-2-yltriazol-1-yl)pentan-2-one
SMILESCC(=O)CCCn1cc(C(C)C)nn1
InChIInChI=1S/C10H17N3O/c1-8(2)10-7-13(12-11-10)6-4-5-9(3)14/h7-8H,4-6H2,1-3H3
InChIKeyYYEIMKLBUBWBPL-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.77
Rot. Bonds5

About 5-(4-propan-2-yltriazol-1-yl)pentan-2-one

5-(4-propan-2-yltriazol-1-yl)pentan-2-one (PubChem CID 139306328) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(4-propan-2-yltriazol-1-yl)pentan-2-one.

Molecular Properties

Compound Name5-(4-propan-2-yltriazol-1-yl)pentan-2-one
PubChem CID139306328
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(4-propan-2-yltriazol-1-yl)pentan-2-one
SMILESCC(=O)CCCn1cc(C(C)C)nn1
InChIInChI=1S/C10H17N3O/c1-8(2)10-7-13(12-11-10)6-4-5-9(3)14/h7-8H,4-6H2,1-3H3
InChIKeyYYEIMKLBUBWBPL-UHFFFAOYSA-N
XLogP1.77
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yltriazol-1-yl)pentan-2-one?
The IUPAC name of 5-(4-propan-2-yltriazol-1-yl)pentan-2-one (CID 139306328) is 5-(4-propan-2-yltriazol-1-yl)pentan-2-one.
What is the SMILES notation for 5-(4-propan-2-yltriazol-1-yl)pentan-2-one?
The canonical SMILES for 5-(4-propan-2-yltriazol-1-yl)pentan-2-one is CC(=O)CCCn1cc(C(C)C)nn1.
What is the InChIKey of 5-(4-propan-2-yltriazol-1-yl)pentan-2-one?
The InChIKey is YYEIMKLBUBWBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)10-7-13(12-11-10)6-4-5-9(3)14/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-(4-propan-2-yltriazol-1-yl)pentan-2-one?
5-(4-propan-2-yltriazol-1-yl)pentan-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yltriazol-1-yl)pentan-2-one is sourced from PubChem (CID 139306328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).