[4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine

C21H21N9 — CID 58752520

IUPAC[4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine
SMILESNNc1ccc(-c2nc(-c3ccc(NN)cc3)nc(-c3ccc(NN)cc3)n2)cc1
InChIInChI=1S/C21H21N9/c22-28-16-7-1-13(2-8-16)19-25-20(14-3-9-17(29-23)10-4-14)27-21(26-19)15-5-11-18(30-24)12-6-15/h1-12,28-30H,22-24H2
InChIKeyVTYDXDUWCVOYTH-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.73
Rot. Bonds6

About [4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine

[4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine (PubChem CID 58752520) has the molecular formula C21H21N9 and a molecular weight of 399.46 g/mol. Its IUPAC name is [4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine.

Molecular Properties

Compound Name[4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine
PubChem CID58752520
Molecular FormulaC21H21N9
Molecular Weight399.46 g/mol
Exact Mass399.19
IUPAC Name[4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine
SMILESNNc1ccc(-c2nc(-c3ccc(NN)cc3)nc(-c3ccc(NN)cc3)n2)cc1
InChIInChI=1S/C21H21N9/c22-28-16-7-1-13(2-8-16)19-25-20(14-3-9-17(29-23)10-4-14)27-21(26-19)15-5-11-18(30-24)12-6-15/h1-12,28-30H,22-24H2
InChIKeyVTYDXDUWCVOYTH-UHFFFAOYSA-N
XLogP2.73
TPSA152.82 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 52.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-aminobenzonitrile;4-[4,6-bis(4-aminophenyl)-1,3,5-triazin-2-yl]aniline;[4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine;4-hydrazinylbenzonitrile
CID 158635272
4-(4-hydrazinylphenyl)aniline
CID 55280318
ethane;[4-(4-hydrazinylphenyl)phenyl]hydrazine
CID 157145952
4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline
CID 163749792
hydron;phenylhydrazine
CID 174827836
(4-propan-2-ylphenyl)hydrazine
CID 2733249
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
[5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62252586
(4-fluorophenyl)hydrazine;hydrate
CID 19886243
4-hydrazinyl-N,N-bis(4-hydrazinylphenyl)aniline
CID 67586881
[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]hydrazine
CID 23106734
4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 22352251

Frequently Asked Questions

What is the IUPAC name of [4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine?
The IUPAC name of [4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine (CID 58752520) is [4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine.
What is the SMILES notation for [4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine?
The canonical SMILES for [4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine is NNc1ccc(-c2nc(-c3ccc(NN)cc3)nc(-c3ccc(NN)cc3)n2)cc1.
What is the InChIKey of [4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine?
The InChIKey is VTYDXDUWCVOYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9/c22-28-16-7-1-13(2-8-16)19-25-20(14-3-9-17(29-23)10-4-14)27-21(26-19)15-5-11-18(30-24)12-6-15/h1-12,28-30H,22-24H2.
What are the key properties of [4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine?
[4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine has a molecular weight of 399.46 g/mol, XLogP of 2.73, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine is sourced from PubChem (CID 58752520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).