4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol

C16H16N4O — CID 61352789

IUPAC4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol
SMILESNC(Cc1ccc(O)cc1)c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H16N4O/c17-14(10-11-6-8-13(21)9-7-11)16-18-15(19-20-16)12-4-2-1-3-5-12/h1-9,14,21H,10,17H2,(H,18,19,20)
InChIKeyYUQMZMADBGOGLI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.42
Rot. Bonds4

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

4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol (PubChem CID 61352789) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol
PubChem CID61352789
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol
SMILESNC(Cc1ccc(O)cc1)c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H16N4O/c17-14(10-11-6-8-13(21)9-7-11)16-18-15(19-20-16)12-4-2-1-3-5-12/h1-9,14,21H,10,17H2,(H,18,19,20)
InChIKeyYUQMZMADBGOGLI-UHFFFAOYSA-N
XLogP2.42
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one
CID 389407
2-(5-Phenyl-1H-[1,2,4]triazol-3-yl)-phenol
CID 677535
4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol
CID 2768020
2-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-2H-[1,2,4]triazol-3-yl}-phenol
CID 135498001
4-(5-amino-1H-1,2,4-triazol-3-yl)phenol
CID 135629271
3-(5-amino-4H-1,2,4-triazol-3-yl)phenol
CID 20114102
2-(5-amino-4H-1,2,4-triazol-3-yl)phenol
CID 135649820
(E)-3-(4-hydroxyphenyl)-N-(5-phenyl-4H-1,2,4-triazol-3-yl)prop-2-enamide
CID 57390397
4-(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)benzene-1,2-diol
CID 135953356
2-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)phenol
CID 136315296
3-[5-[(Z)-8-hydroxyheptadec-11-enyl]-1H-1,2,4-triazol-3-yl]phenol
CID 145952249
3-(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)phenol
CID 145955287

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol?
The IUPAC name of 4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol (CID 61352789) is 4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol?
The canonical SMILES for 4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol is NC(Cc1ccc(O)cc1)c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol?
The InChIKey is YUQMZMADBGOGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-14(10-11-6-8-13(21)9-7-11)16-18-15(19-20-16)12-4-2-1-3-5-12/h1-9,14,21H,10,17H2,(H,18,19,20).
What are the key properties of 4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol?
4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol has a molecular weight of 280.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol is sourced from PubChem (CID 61352789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).