(2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol

C14H15ClN6O — CID 10313850

IUPAC(2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol
SMILESC[C@@H](n1nccn1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN6O/c1-11(21-17-6-7-18-21)14(22,8-20-10-16-9-19-20)12-2-4-13(15)5-3-12/h2-7,9-11,22H,8H2,1H3/t11-,14-/m1/s1
InChIKeyFQZKAEXTELHRBK-BXUZGUMPSA-N
MW318.77 g/mol
LogP1.67
Rot. Bonds5

About (2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol

(2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol (PubChem CID 10313850) has the molecular formula C14H15ClN6O and a molecular weight of 318.77 g/mol. Its IUPAC name is (2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol
PubChem CID10313850
Molecular FormulaC14H15ClN6O
Molecular Weight318.77 g/mol
Exact Mass318.10
IUPAC Name(2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol
SMILESC[C@@H](n1nccn1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN6O/c1-11(21-17-6-7-18-21)14(22,8-20-10-16-9-19-20)12-2-4-13(15)5-3-12/h2-7,9-11,22H,8H2,1H3/t11-,14-/m1/s1
InChIKeyFQZKAEXTELHRBK-BXUZGUMPSA-N
XLogP1.67
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R)-2-(4-chlorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 10712647
2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol
CID 139941557
(2S,3R)-2-(4-chlorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentane-2,3-diol
CID 3007691
1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782945
2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
CID 70527557
1-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butane-2,3-diol
CID 15197548
2-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68910140
(1S)-1-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 7100274
(2S,3R)-2-(4-chlorophenyl)-3-(1,2,4-triazol-1-ylmethyl)heptane-2,3-diol
CID 3007709
(2R,3S)-3-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 139826164
(2S,3S)-3-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 57016379
(2R,3S)-2-(2,4-dichlorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)pentane-2,4-diol
CID 57249009

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol?
The IUPAC name of (2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol (CID 10313850) is (2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol.
What is the SMILES notation for (2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol?
The canonical SMILES for (2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol is C[C@@H](n1nccn1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol?
The InChIKey is FQZKAEXTELHRBK-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H15ClN6O/c1-11(21-17-6-7-18-21)14(22,8-20-10-16-9-19-20)12-2-4-13(15)5-3-12/h2-7,9-11,22H,8H2,1H3/t11-,14-/m1/s1.
What are the key properties of (2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol?
(2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol has a molecular weight of 318.77 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol is sourced from PubChem (CID 10313850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).