[1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol

C13H10ClN3O2 — CID 82200760

IUPAC[1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccc(Cl)cc2)c1-c1ccco1
InChIInChI=1S/C13H10ClN3O2/c14-9-3-5-10(6-4-9)17-13(11(8-18)15-16-17)12-2-1-7-19-12/h1-7,18H,8H2
InChIKeyATNLQQLNDHRTMG-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.67
Rot. Bonds3

About [1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol

[1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol (PubChem CID 82200760) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol
PubChem CID82200760
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name[1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccc(Cl)cc2)c1-c1ccco1
InChIInChI=1S/C13H10ClN3O2/c14-9-3-5-10(6-4-9)17-13(11(8-18)15-16-17)12-2-1-7-19-12/h1-7,18H,8H2
InChIKeyATNLQQLNDHRTMG-UHFFFAOYSA-N
XLogP2.67
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol
CID 82196667
1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid
CID 17015040
[1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82200781
[1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82195251
4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol
CID 82194910
5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid
CID 82201232
1-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)triazole-4-carbonitrile
CID 82195388
5-(furan-2-yl)-1-(4-methoxycarbonylphenyl)triazole-4-carboxylic acid
CID 94940392
1-(4-fluorophenyl)-5-(furan-2-yl)triazole-4-carbaldehyde
CID 82196761
1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole
CID 126681545
[5-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol
CID 56769403
4-(chloromethyl)-5-(4-chlorophenyl)-1-(4-methylphenyl)triazole
CID 56769724

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol?
The IUPAC name of [1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol (CID 82200760) is [1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol?
The canonical SMILES for [1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol is OCc1nnn(-c2ccc(Cl)cc2)c1-c1ccco1.
What is the InChIKey of [1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol?
The InChIKey is ATNLQQLNDHRTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-9-3-5-10(6-4-9)17-13(11(8-18)15-16-17)12-2-1-7-19-12/h1-7,18H,8H2.
What are the key properties of [1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol?
[1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol has a molecular weight of 275.70 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol is sourced from PubChem (CID 82200760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).