5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol

C19H15N3O2 — CID 94938110

IUPAC5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol
SMILESOCc1nnn(-c2cccc3c(O)cccc23)c1-c1ccccc1
InChIInChI=1S/C19H15N3O2/c23-12-16-19(13-6-2-1-3-7-13)22(21-20-16)17-10-4-9-15-14(17)8-5-11-18(15)24/h1-11,23-24H,12H2
InChIKeyHZHAELJGJKDINK-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.29
Rot. Bonds3

About 5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol

5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol (PubChem CID 94938110) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol
PubChem CID94938110
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol
SMILESOCc1nnn(-c2cccc3c(O)cccc23)c1-c1ccccc1
InChIInChI=1S/C19H15N3O2/c23-12-16-19(13-6-2-1-3-7-13)22(21-20-16)17-10-4-9-15-14(17)8-5-11-18(15)24/h1-11,23-24H,12H2
InChIKeyHZHAELJGJKDINK-UHFFFAOYSA-N
XLogP3.29
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol?
The IUPAC name of 5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol (CID 94938110) is 5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol.
What is the SMILES notation for 5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol?
The canonical SMILES for 5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol is OCc1nnn(-c2cccc3c(O)cccc23)c1-c1ccccc1.
What is the InChIKey of 5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol?
The InChIKey is HZHAELJGJKDINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-12-16-19(13-6-2-1-3-7-13)22(21-20-16)17-10-4-9-15-14(17)8-5-11-18(15)24/h1-11,23-24H,12H2.
What are the key properties of 5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol?
5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol has a molecular weight of 317.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol is sourced from PubChem (CID 94938110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).