(E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol

C15H18ClN3O — CID 70457301

IUPAC(E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
SMILESCC(C)C(C)(O)/C(=C\c1ccc(Cl)cc1)n1cncn1
InChIInChI=1S/C15H18ClN3O/c1-11(2)15(3,20)14(19-10-17-9-18-19)8-12-4-6-13(16)7-5-12/h4-11,20H,1-3H3/b14-8+
InChIKeyOGSSSXRBXQZZNV-RIYZIHGNSA-N
MW291.78 g/mol
LogP3.34
Rot. Bonds4

About (E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol

(E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol (PubChem CID 70457301) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
PubChem CID70457301
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name(E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
SMILESCC(C)C(C)(O)/C(=C\c1ccc(Cl)cc1)n1cncn1
InChIInChI=1S/C15H18ClN3O/c1-11(2)15(3,20)14(19-10-17-9-18-19)8-12-4-6-13(16)7-5-12/h4-11,20H,1-3H3/b14-8+
InChIKeyOGSSSXRBXQZZNV-RIYZIHGNSA-N
XLogP3.34
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
The IUPAC name of (E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol (CID 70457301) is (E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
The canonical SMILES for (E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol is CC(C)C(C)(O)/C(=C\c1ccc(Cl)cc1)n1cncn1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
The InChIKey is OGSSSXRBXQZZNV-RIYZIHGNSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11(2)15(3,20)14(19-10-17-9-18-19)8-12-4-6-13(16)7-5-12/h4-11,20H,1-3H3/b14-8+.
What are the key properties of (E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
(E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol has a molecular weight of 291.78 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-3,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol is sourced from PubChem (CID 70457301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).