[5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol

C13H14ClN3O — CID 82210758

IUPAC[5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
SMILESC=C(C)Cn1nnc(CO)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-9(2)7-17-13(12(8-18)15-16-17)10-4-3-5-11(14)6-10/h3-6,18H,1,7-8H2,2H3
InChIKeyUXLSMZKXRCUACN-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.67
Rot. Bonds4

About [5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol

[5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol (PubChem CID 82210758) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
PubChem CID82210758
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name[5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
SMILESC=C(C)Cn1nnc(CO)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-9(2)7-17-13(12(8-18)15-16-17)10-4-3-5-11(14)6-10/h3-6,18H,1,7-8H2,2H3
InChIKeyUXLSMZKXRCUACN-UHFFFAOYSA-N
XLogP2.67
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[5-(3-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
CID 82210298
[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
CID 94943378
2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol
CID 82210126
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769387
[5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol
CID 94935756
2-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile
CID 82206450
[5-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol
CID 56769403
[5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210785
5-(3,4-dichlorophenyl)-1-(2-methylprop-2-enyl)triazole-4-carbaldehyde
CID 82210709
[5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208617
[1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82200781
[5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208626

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol?
The IUPAC name of [5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol (CID 82210758) is [5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol is C=C(C)Cn1nnc(CO)c1-c1cccc(Cl)c1.
What is the InChIKey of [5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol?
The InChIKey is UXLSMZKXRCUACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9(2)7-17-13(12(8-18)15-16-17)10-4-3-5-11(14)6-10/h3-6,18H,1,7-8H2,2H3.
What are the key properties of [5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol?
[5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol has a molecular weight of 263.73 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol is sourced from PubChem (CID 82210758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).