(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper

C15H20ClCuN3O — CID 67683151

IUPAC(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper
SMILESCC(C)(C)[C@H](O)[C@H](Cc1ccc(Cl)cc1)n1cncn1.[Cu]
InChIInChI=1S/C15H20ClN3O.Cu/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11;/h4-7,9-10,13-14,20H,8H2,1-3H3;/t13-,14+;/m0./s1
InChIKeyKSXAWCDJFKKJOP-LMRHVHIWSA-N
MW357.34 g/mol
LogP3.12
Rot. Bonds4

About (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper

(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper (PubChem CID 67683151) has the molecular formula C15H20ClCuN3O and a molecular weight of 357.34 g/mol. Its IUPAC name is (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper.

Molecular Properties

Compound Name(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper
PubChem CID67683151
Molecular FormulaC15H20ClCuN3O
Molecular Weight357.34 g/mol
Exact Mass356.06
IUPAC Name(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper
SMILESCC(C)(C)[C@H](O)[C@H](Cc1ccc(Cl)cc1)n1cncn1.[Cu]
InChIInChI=1S/C15H20ClN3O.Cu/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11;/h4-7,9-10,13-14,20H,8H2,1-3H3;/t13-,14+;/m0./s1
InChIKeyKSXAWCDJFKKJOP-LMRHVHIWSA-N
XLogP3.12
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper?
The IUPAC name of (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper (CID 67683151) is (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper.
What is the SMILES notation for (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper?
The canonical SMILES for (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper is CC(C)(C)[C@H](O)[C@H](Cc1ccc(Cl)cc1)n1cncn1.[Cu].
What is the InChIKey of (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper?
The InChIKey is KSXAWCDJFKKJOP-LMRHVHIWSA-N. The full InChI is InChI=1S/C15H20ClN3O.Cu/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11;/h4-7,9-10,13-14,20H,8H2,1-3H3;/t13-,14+;/m0./s1.
What are the key properties of (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper?
(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper has a molecular weight of 357.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper is sourced from PubChem (CID 67683151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).