N,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine

C20H20N4+2 — CID 170843022

IUPACN,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine
SMILESc1ccc(NC2=[N+](c3ccccc3)CN(c3ccccc3)[NH2+]2)cc1
InChIInChI=1S/C20H18N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-15H,16H2,(H,21,22)/p+2
InChIKeyPZJZKXQHZCCGQN-UHFFFAOYSA-P
MW316.41 g/mol
LogP2.75
Rot. Bonds3

About N,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine

N,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine (PubChem CID 170843022) has the molecular formula C20H20N4+2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine.

Molecular Properties

Compound NameN,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine
PubChem CID170843022
Molecular FormulaC20H20N4+2
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC NameN,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine
SMILESc1ccc(NC2=[N+](c3ccccc3)CN(c3ccccc3)[NH2+]2)cc1
InChIInChI=1S/C20H18N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-15H,16H2,(H,21,22)/p+2
InChIKeyPZJZKXQHZCCGQN-UHFFFAOYSA-P
XLogP2.75
TPSA34.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,1,4-triphenyl-1,2,4-triazol-4-ium-3-amine
CID 720072
azane;N-phenylaniline
CID 67074378
3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine
CID 2036482
N,1-diphenyl-2H-azet-4-amine;hydrochloride
CID 141186204
hydrazine;N-phenylaniline
CID 159755629
4-[(E)-2-chloroethenyl]-N-phenylaniline
CID 22717025
2-heptadecyl-N,1,3-triphenyl-4,5-dihydroimidazol-1-ium-4-amine
CID 155550307
2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane
CID 12896202
4-iodo-N-phenylaniline
CID 11471947
2-anilino-3,5,5-trimethylcyclohex-2-en-1-one
CID 141490074
1,3-diphenyl-4,5-dihydroimidazol-1-ium-2-carboxylic acid
CID 69079415
3-(4-anilinoanilino)-5,5-dimethylcyclohex-2-en-1-one
CID 895503

Frequently Asked Questions

What is the IUPAC name of N,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine?
The IUPAC name of N,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine (CID 170843022) is N,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine.
What is the SMILES notation for N,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine?
The canonical SMILES for N,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine is c1ccc(NC2=[N+](c3ccccc3)CN(c3ccccc3)[NH2+]2)cc1.
What is the InChIKey of N,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine?
The InChIKey is PZJZKXQHZCCGQN-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H18N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-15H,16H2,(H,21,22)/p+2.
What are the key properties of N,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine?
N,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine has a molecular weight of 316.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine is sourced from PubChem (CID 170843022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).