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

C16H16N4O — CID 23966601

IUPAC3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol
SMILESCN(C)c1ccc(-c2ncnn2-c2cccc(O)c2)cc1
InChIInChI=1S/C16H16N4O/c1-19(2)13-8-6-12(7-9-13)16-17-11-18-20(16)14-4-3-5-15(21)10-14/h3-11,21H,1-2H3
InChIKeyKHVNPZUGTWQMDR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.71
Rot. Bonds3

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

3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol (PubChem CID 23966601) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol.

Molecular Properties

Compound Name3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol
PubChem CID23966601
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol
SMILESCN(C)c1ccc(-c2ncnn2-c2cccc(O)c2)cc1
InChIInChI=1S/C16H16N4O/c1-19(2)13-8-6-12(7-9-13)16-17-11-18-20(16)14-4-3-5-15(21)10-14/h3-11,21H,1-2H3
InChIKeyKHVNPZUGTWQMDR-UHFFFAOYSA-N
XLogP2.71
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-Biphenyl)-(1,2,4-triazol-4-yl)]-3-phenol
CID 11580459
2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol
CID 443276
2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 2305193
1-{3-[3-(Tert-butyl) phenyl]-(1,2,4-triazol-4-yl)}-3-phenol
CID 10214859
3-[3-(4-Tert-butylphenyl)-5-(dimethylamino)-1,2,4-triazol-4-yl]phenol
CID 10308746
3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl)-1H-1,2,4-triazol-1-yl)phenol
CID 11957735
3-(2-(4-tert-Butylphenyl)-5-((dimethylamino)methyl)-2H-1,2,4-triazol-3-yl)phenol
CID 25000426
3-(5-(3-tert-Butylphenyl)-3-((dimethylamino)methyl)-1H-1,2,4-triazol-1-yl)phenol
CID 46226512
1-[3-(4-Biphenyl)-(1,2,4-triazol-4-yl)]-3-phenol
CID 11645313
2-(3-ethyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 895860
3-[3-(Dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol
CID 11537712
3-(3-(4-tert-butylphenyl)-5-((dimethylamino)methyl)-4H-1,2,4-triazol-4-yl)phenol
CID 11544824

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol?
The IUPAC name of 3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol (CID 23966601) is 3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol.
What is the SMILES notation for 3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol?
The canonical SMILES for 3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol is CN(C)c1ccc(-c2ncnn2-c2cccc(O)c2)cc1.
What is the InChIKey of 3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol?
The InChIKey is KHVNPZUGTWQMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-19(2)13-8-6-12(7-9-13)16-17-11-18-20(16)14-4-3-5-15(21)10-14/h3-11,21H,1-2H3.
What are the key properties of 3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol?
3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol has a molecular weight of 280.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol is sourced from PubChem (CID 23966601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).