(1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol

C20H17N3O — CID 134157197

IUPAC(1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol
SMILESOC(c1ccc2ccccc2c1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C20H17N3O/c24-20(18-11-10-16-8-4-5-9-17(16)12-18)19-14-23(22-21-19)13-15-6-2-1-3-7-15/h1-12,14,20,24H,13H2
InChIKeyKBUMMEVQMCRBRS-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.56
Rot. Bonds4

About (1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol

(1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol (PubChem CID 134157197) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol
PubChem CID134157197
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name(1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol
SMILESOC(c1ccc2ccccc2c1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C20H17N3O/c24-20(18-11-10-16-8-4-5-9-17(16)12-18)19-14-23(22-21-19)13-15-6-2-1-3-7-15/h1-12,14,20,24H,13H2
InChIKeyKBUMMEVQMCRBRS-UHFFFAOYSA-N
XLogP3.56
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-[(2S)-2-hydroxy-3-[1-(naphthalen-2-ylmethyl)triazol-4-yl]propoxy]ethoxy]-3-(4-phenylphenyl)propan-2-ol
CID 90671868
1-Phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol
CID 46863267
2-[4-[[Benzyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol
CID 57391979
(1-Benzyltriazol-4-yl)-(4-methylphenyl)methanol
CID 134133928
Ethyl 2-[4-[hydroxy(naphthalen-2-yl)methyl]triazol-1-yl]acetate
CID 134135914
[1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol
CID 134138700
3-(4-Naphthalen-2-yltriazol-1-yl)propan-1-ol
CID 134152222
(1-Benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 134153294
[1-(Naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol
CID 162656470
1-Phenyl-2-(4-phenyl-1h-1,2,3-triazol-1-yl)ethanol
CID 24178831
(1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol
CID 56649161
(1-Benzyl-5-butyltriazol-4-yl)-diphenylmethanol
CID 102109635

Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol?
The IUPAC name of (1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol (CID 134157197) is (1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol.
What is the SMILES notation for (1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol?
The canonical SMILES for (1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol is OC(c1ccc2ccccc2c1)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of (1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol?
The InChIKey is KBUMMEVQMCRBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-20(18-11-10-16-8-4-5-9-17(16)12-18)19-14-23(22-21-19)13-15-6-2-1-3-7-15/h1-12,14,20,24H,13H2.
What are the key properties of (1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol?
(1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol has a molecular weight of 315.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol is sourced from PubChem (CID 134157197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).