5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol

C13H16ClN3O — CID 19022866

IUPAC5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol
SMILESOC(CCCc1ccccc1Cl)Cn1cncn1
InChIInChI=1S/C13H16ClN3O/c14-13-7-2-1-4-11(13)5-3-6-12(18)8-17-10-15-9-16-17/h1-2,4,7,9-10,12,18H,3,5-6,8H2
InChIKeyITFUBBWPMOMYTF-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.32
Rot. Bonds6

About 5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol

5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol (PubChem CID 19022866) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol
PubChem CID19022866
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol
SMILESOC(CCCc1ccccc1Cl)Cn1cncn1
InChIInChI=1S/C13H16ClN3O/c14-13-7-2-1-4-11(13)5-3-6-12(18)8-17-10-15-9-16-17/h1-2,4,7,9-10,12,18H,3,5-6,8H2
InChIKeyITFUBBWPMOMYTF-UHFFFAOYSA-N
XLogP2.32
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol?
The IUPAC name of 5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol (CID 19022866) is 5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol?
The canonical SMILES for 5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol is OC(CCCc1ccccc1Cl)Cn1cncn1.
What is the InChIKey of 5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol?
The InChIKey is ITFUBBWPMOMYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-13-7-2-1-4-11(13)5-3-6-12(18)8-17-10-15-9-16-17/h1-2,4,7,9-10,12,18H,3,5-6,8H2.
What are the key properties of 5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol?
5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol has a molecular weight of 265.74 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol is sourced from PubChem (CID 19022866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).