4-(3-amino-1H-1,2,4-triazol-5-yl)phenol

C8H8N4O — CID 135629271

IUPAC4-(3-amino-1H-1,2,4-triazol-5-yl)phenol
SMILESNc1n[nH]c(-c2ccc(O)cc2)n1
InChIInChI=1S/C8H8N4O/c9-8-10-7(11-12-8)5-1-3-6(13)4-2-5/h1-4,13H,(H3,9,10,11,12)
InChIKeyNBQBFWFMBWJWFX-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.76
Rot. Bonds1

About 4-(3-amino-1H-1,2,4-triazol-5-yl)phenol

4-(3-amino-1H-1,2,4-triazol-5-yl)phenol (PubChem CID 135629271) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-(3-amino-1H-1,2,4-triazol-5-yl)phenol.

Molecular Properties

Compound Name4-(3-amino-1H-1,2,4-triazol-5-yl)phenol
PubChem CID135629271
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name4-(3-amino-1H-1,2,4-triazol-5-yl)phenol
SMILESNc1n[nH]c(-c2ccc(O)cc2)n1
InChIInChI=1S/C8H8N4O/c9-8-10-7(11-12-8)5-1-3-6(13)4-2-5/h1-4,13H,(H3,9,10,11,12)
InChIKeyNBQBFWFMBWJWFX-UHFFFAOYSA-N
XLogP0.76
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 605283
5-(4-Methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 781002
(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
5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 3239895
4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol
CID 2768020
5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine
CID 162369046
2-(4H-1,2,4-triazol-3-yl)phenol
CID 136008534
4-(4H-1,2,4-triazol-3-yl)phenol
CID 135636849
4-(5-Phenyl-4H-[1,2,4]triazol-3-ylazo)-phenol
CID 3115093
4-{[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]diazenyl}phenol
CID 3115142
2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol
CID 164627196

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-1,2,4-triazol-5-yl)phenol?
The IUPAC name of 4-(3-amino-1H-1,2,4-triazol-5-yl)phenol (CID 135629271) is 4-(3-amino-1H-1,2,4-triazol-5-yl)phenol.
What is the SMILES notation for 4-(3-amino-1H-1,2,4-triazol-5-yl)phenol?
The canonical SMILES for 4-(3-amino-1H-1,2,4-triazol-5-yl)phenol is Nc1n[nH]c(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-(3-amino-1H-1,2,4-triazol-5-yl)phenol?
The InChIKey is NBQBFWFMBWJWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-8-10-7(11-12-8)5-1-3-6(13)4-2-5/h1-4,13H,(H3,9,10,11,12).
What are the key properties of 4-(3-amino-1H-1,2,4-triazol-5-yl)phenol?
4-(3-amino-1H-1,2,4-triazol-5-yl)phenol has a molecular weight of 176.18 g/mol, XLogP of 0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-1,2,4-triazol-5-yl)phenol is sourced from PubChem (CID 135629271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).