(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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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).