3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol

C20H18N4O — CID 11558993

IUPAC3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol
SMILESCN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1
InChIInChI=1S/C20H18N4O/c1-23(2)20-22-21-19(24(20)17-8-5-9-18(25)13-17)16-11-10-14-6-3-4-7-15(14)12-16/h3-13,25H,1-2H3
InChIKeyRQQBVBFYGSVQNK-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.86
Rot. Bonds3

About 3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol

3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol (PubChem CID 11558993) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol.

Molecular Properties

Compound Name3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol
PubChem CID11558993
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol
SMILESCN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1
InChIInChI=1S/C20H18N4O/c1-23(2)20-22-21-19(24(20)17-8-5-9-18(25)13-17)16-11-10-14-6-3-4-7-15(14)12-16/h3-13,25H,1-2H3
InChIKeyRQQBVBFYGSVQNK-UHFFFAOYSA-N
XLogP3.86
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol?
The IUPAC name of 3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol (CID 11558993) is 3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol.
What is the SMILES notation for 3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol?
The canonical SMILES for 3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol is CN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1.
What is the InChIKey of 3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol?
The InChIKey is RQQBVBFYGSVQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-23(2)20-22-21-19(24(20)17-8-5-9-18(25)13-17)16-11-10-14-6-3-4-7-15(14)12-16/h3-13,25H,1-2H3.
What are the key properties of 3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol?
3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol has a molecular weight of 330.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol is sourced from PubChem (CID 11558993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).