[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol

C16H15ClN4O — CID 75516751

IUPAC[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol
SMILESOCc1cccc(NCc2cn(-c3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C16H15ClN4O/c17-13-4-6-16(7-5-13)21-10-15(19-20-21)9-18-14-3-1-2-12(8-14)11-22/h1-8,10,18,22H,9,11H2
InChIKeyWSUWJVMDIIGBDW-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.03
Rot. Bonds5

About [3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol

[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol (PubChem CID 75516751) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is [3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol
PubChem CID75516751
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol
SMILESOCc1cccc(NCc2cn(-c3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C16H15ClN4O/c17-13-4-6-16(7-5-13)21-10-15(19-20-21)9-18-14-3-1-2-12(8-14)11-22/h1-8,10,18,22H,9,11H2
InChIKeyWSUWJVMDIIGBDW-UHFFFAOYSA-N
XLogP3.03
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol
CID 62757407
N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66205851
2-chloro-N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-[[(S)-methylsulfinyl]methyl]aniline
CID 99585533
[1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride
CID 178201309
tert-butyl N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]carbamate
CID 178054648
6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine
CID 167872795
N-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
CID 146293517
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 9162963
1-[1-(4-chlorophenyl)triazol-4-yl]propan-2-one
CID 117167684
3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one
CID 71853627
N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine
CID 170210907
2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol
CID 79891427

Frequently Asked Questions

What is the IUPAC name of [3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol?
The IUPAC name of [3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol (CID 75516751) is [3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol.
What is the SMILES notation for [3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol?
The canonical SMILES for [3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol is OCc1cccc(NCc2cn(-c3ccc(Cl)cc3)nn2)c1.
What is the InChIKey of [3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol?
The InChIKey is WSUWJVMDIIGBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c17-13-4-6-16(7-5-13)21-10-15(19-20-21)9-18-14-3-1-2-12(8-14)11-22/h1-8,10,18,22H,9,11H2.
What are the key properties of [3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol?
[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol has a molecular weight of 314.78 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol is sourced from PubChem (CID 75516751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).