3-(5-aminotriazol-1-yl)phenol

C8H8N4O — CID 105436385

IUPAC3-(5-aminotriazol-1-yl)phenol
SMILESNc1cnnn1-c1cccc(O)c1
InChIInChI=1S/C8H8N4O/c9-8-5-10-11-12(8)6-2-1-3-7(13)4-6/h1-5,13H,9H2
InChIKeyMDAAZFQQINUVSC-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.56
Rot. Bonds1

About 3-(5-aminotriazol-1-yl)phenol

3-(5-aminotriazol-1-yl)phenol (PubChem CID 105436385) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-(5-aminotriazol-1-yl)phenol.

Molecular Properties

Compound Name3-(5-aminotriazol-1-yl)phenol
PubChem CID105436385
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name3-(5-aminotriazol-1-yl)phenol
SMILESNc1cnnn1-c1cccc(O)c1
InChIInChI=1S/C8H8N4O/c9-8-5-10-11-12(8)6-2-1-3-7(13)4-6/h1-5,13H,9H2
InChIKeyMDAAZFQQINUVSC-UHFFFAOYSA-N
XLogP0.56
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)triazol-4-amine
CID 105444137
3-(3-hydroxyphenyl)triazole-4-carbaldehyde
CID 82363674
3-[5-(2-hydroxypropyl)triazol-1-yl]phenol
CID 117167193
3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol
CID 83864512
3-(4-amino-5-ethyltriazol-1-yl)phenol
CID 105456139
3-(5-amino-4-ethyltriazol-1-yl)phenol
CID 105456148
3-(5-amino-4-propan-2-yltriazol-1-yl)phenol
CID 105472470
3-(5-bromopyrazol-1-yl)phenol
CID 84701027
3-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 178199956
3-[5-(3-aminopropyl)tetrazol-1-yl]phenol
CID 82228068
5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole
CID 174935366
3-(5-propan-2-ylpyrazol-1-yl)phenol
CID 84776764

Frequently Asked Questions

What is the IUPAC name of 3-(5-aminotriazol-1-yl)phenol?
The IUPAC name of 3-(5-aminotriazol-1-yl)phenol (CID 105436385) is 3-(5-aminotriazol-1-yl)phenol.
What is the SMILES notation for 3-(5-aminotriazol-1-yl)phenol?
The canonical SMILES for 3-(5-aminotriazol-1-yl)phenol is Nc1cnnn1-c1cccc(O)c1.
What is the InChIKey of 3-(5-aminotriazol-1-yl)phenol?
The InChIKey is MDAAZFQQINUVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-8-5-10-11-12(8)6-2-1-3-7(13)4-6/h1-5,13H,9H2.
What are the key properties of 3-(5-aminotriazol-1-yl)phenol?
3-(5-aminotriazol-1-yl)phenol has a molecular weight of 176.18 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminotriazol-1-yl)phenol is sourced from PubChem (CID 105436385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).