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

C16H16N8 — CID 139075773

IUPAC5-phenyl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccccc2)n1.Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/2C8H8N4/c2*9-8-10-7(11-12-8)6-4-2-1-3-5-6/h2*1-5H,(H3,9,10,11,12)
InChIKeyPOBMYGSLUURNBV-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.11
Rot. Bonds2

About 5-phenyl-1H-1,2,4-triazol-3-amine

5-phenyl-1H-1,2,4-triazol-3-amine (PubChem CID 139075773) has the molecular formula C16H16N8 and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-phenyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-phenyl-1H-1,2,4-triazol-3-amine
PubChem CID139075773
Molecular FormulaC16H16N8
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name5-phenyl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccccc2)n1.Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/2C8H8N4/c2*9-8-10-7(11-12-8)6-4-2-1-3-5-6/h2*1-5H,(H3,9,10,11,12)
InChIKeyPOBMYGSLUURNBV-UHFFFAOYSA-N
XLogP2.11
TPSA135.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride
CID 2858656
5-(3-bromophenyl)-1H-1,2,4-triazol-3-amine
CID 3734662
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
5-pyridin-1-ium-4-yl-1H-1,2,4-triazol-3-amine;chloride;hydrate
CID 139080430
4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine
CID 12889444
2-(3-amino-1H-1,2,4-triazol-5-yl)phenol
CID 135649820
5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol
CID 107703091
5-phenyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)disulfanyl]-1H-1,2,4-triazole
CID 2748790
4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 4570745
3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine
CID 118529419
3,5-diphenyl-1H-1,2,4-triazole;2H-triazole
CID 175519989
5-phenyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)disulfanyl]-1H-1,2,4-triazole;dihydrate
CID 139081051

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-phenyl-1H-1,2,4-triazol-3-amine (CID 139075773) is 5-phenyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-phenyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-phenyl-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2ccccc2)n1.Nc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-1H-1,2,4-triazol-3-amine?
The InChIKey is POBMYGSLUURNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8N4/c2*9-8-10-7(11-12-8)6-4-2-1-3-5-6/h2*1-5H,(H3,9,10,11,12).
What are the key properties of 5-phenyl-1H-1,2,4-triazol-3-amine?
5-phenyl-1H-1,2,4-triazol-3-amine has a molecular weight of 320.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 139075773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).