4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine

C9H8ClN7O2 — CID 125493077

IUPAC4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
SMILESNNc1nc(Cl)nc(Nc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C9H8ClN7O2/c10-7-13-8(15-9(14-7)16-11)12-5-1-3-6(4-2-5)17(18)19/h1-4H,11H2,(H2,12,13,14,15,16)
InChIKeyWFPGXKCFKPJLTN-UHFFFAOYSA-N
MW281.66 g/mol
LogP1.46
Rot. Bonds4

About 4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine

4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine (PubChem CID 125493077) has the molecular formula C9H8ClN7O2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
PubChem CID125493077
Molecular FormulaC9H8ClN7O2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
SMILESNNc1nc(Cl)nc(Nc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C9H8ClN7O2/c10-7-13-8(15-9(14-7)16-11)12-5-1-3-6(4-2-5)17(18)19/h1-4H,11H2,(H2,12,13,14,15,16)
InChIKeyWFPGXKCFKPJLTN-UHFFFAOYSA-N
XLogP1.46
TPSA131.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-(4-nitrophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 4187713
2-N-(4-nitrophenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 71593523
4-chloro-6-(4-methylphenyl)-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
CID 86176201
6-tert-butyl-2-N-(4-nitrophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 156663716
4-N-methyl-5-nitro-2-N-(4-nitrophenyl)pyrimidine-2,4,6-triamine
CID 4677450
2-N-(4-chlorophenyl)-6-N-(furan-2-ylmethyl)-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 3116177
2-N-tert-butyl-6-hydrazinyl-4-N-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
CID 4022449
6-anilino-4-(4-nitroanilino)-1H-1,3,5-triazin-2-one
CID 86206737
5-N,6-N-bis(4-nitrophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3123790
4,6-dichloro-N-[4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methoxyphenyl]-1,3,5-triazin-2-amine
CID 132523379
6-(4-methoxyanilino)-4-(4-nitroanilino)-1H-1,3,5-triazin-2-one
CID 135489919
4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
CID 129216917

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine (CID 125493077) is 4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine is NNc1nc(Cl)nc(Nc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine?
The InChIKey is WFPGXKCFKPJLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN7O2/c10-7-13-8(15-9(14-7)16-11)12-5-1-3-6(4-2-5)17(18)19/h1-4H,11H2,(H2,12,13,14,15,16).
What are the key properties of 4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine?
4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine has a molecular weight of 281.66 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 125493077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).