4-phenyl-1,2,4-triazol-3-amine

C8H8N4 — CID 12949094

IUPAC4-phenyl-1,2,4-triazol-3-amine
SMILESNc1nncn1-c1ccccc1
InChIInChI=1S/C8H8N4/c9-8-11-10-6-12(8)7-4-2-1-3-5-7/h1-6H,(H2,9,11)
InChIKeyIDNHWGLZSOOKAT-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.85
Rot. Bonds1

About 4-phenyl-1,2,4-triazol-3-amine

4-phenyl-1,2,4-triazol-3-amine (PubChem CID 12949094) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-phenyl-1,2,4-triazol-3-amine
PubChem CID12949094
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name4-phenyl-1,2,4-triazol-3-amine
SMILESNc1nncn1-c1ccccc1
InChIInChI=1S/C8H8N4/c9-8-11-10-6-12(8)7-4-2-1-3-5-7/h1-6H,(H2,9,11)
InChIKeyIDNHWGLZSOOKAT-UHFFFAOYSA-N
XLogP0.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 172992549
(4-phenyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 71779094
1-(4-phenyl-1,2,4-triazol-3-yl)ethanone
CID 83383500
1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine
CID 62709739
4-bromo-3-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 115297043
4-[1-(4-phenyl-1,2,4-triazol-3-yl)cyclopropyl]aniline
CID 115914195
5-chloro-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 62710247
4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzene-1,3-diamine
CID 142249451
3-pentan-3-yl-4-phenyl-1,2,4-triazole
CID 115393369
2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 81071078
(1R)-1-(4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 94554781
3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole
CID 115393385

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of 4-phenyl-1,2,4-triazol-3-amine (CID 12949094) is 4-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 4-phenyl-1,2,4-triazol-3-amine is Nc1nncn1-c1ccccc1.
What is the InChIKey of 4-phenyl-1,2,4-triazol-3-amine?
The InChIKey is IDNHWGLZSOOKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-8-11-10-6-12(8)7-4-2-1-3-5-7/h1-6H,(H2,9,11).
What are the key properties of 4-phenyl-1,2,4-triazol-3-amine?
4-phenyl-1,2,4-triazol-3-amine has a molecular weight of 160.18 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 12949094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).