[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol

C20H17N3O — CID 94943470

IUPAC[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol
SMILESOCc1nnn(Cc2cccc3ccccc23)c1-c1ccccc1
InChIInChI=1S/C20H17N3O/c24-14-19-20(16-8-2-1-3-9-16)23(22-21-19)13-17-11-6-10-15-7-4-5-12-18(15)17/h1-12,24H,13-14H2
InChIKeyVLRPIKSRELFSKF-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.64
Rot. Bonds4

About [1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol

[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol (PubChem CID 94943470) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is [1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol
PubChem CID94943470
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol
SMILESOCc1nnn(Cc2cccc3ccccc23)c1-c1ccccc1
InChIInChI=1S/C20H17N3O/c24-14-19-20(16-8-2-1-3-9-16)23(22-21-19)13-17-11-6-10-15-7-4-5-12-18(15)17/h1-12,24H,13-14H2
InChIKeyVLRPIKSRELFSKF-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol
CID 82203789
[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94943250
[5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol
CID 82204046
[5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine
CID 82203818
5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol
CID 94938110
5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid
CID 82202427
(1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol
CID 82199759
1-benzyl-4-ethyl-5-phenyltriazole
CID 123573557
2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid
CID 82210158
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
[5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine
CID 94943636

Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol?
The IUPAC name of [1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol (CID 94943470) is [1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol.
What is the SMILES notation for [1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol?
The canonical SMILES for [1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol is OCc1nnn(Cc2cccc3ccccc23)c1-c1ccccc1.
What is the InChIKey of [1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol?
The InChIKey is VLRPIKSRELFSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-14-19-20(16-8-2-1-3-9-16)23(22-21-19)13-17-11-6-10-15-7-4-5-12-18(15)17/h1-12,24H,13-14H2.
What are the key properties of [1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol?
[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol has a molecular weight of 315.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol is sourced from PubChem (CID 94943470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).