6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C10H14F3N5O2 — CID 80902169

IUPAC6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC(C)N(CC(F)(F)F)c1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14F3N5O2/c1-6(2)17(5-10(11,12)13)9-7(18(19)20)3-4-8(15-9)16-14/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyZPQLZJZQROTSFB-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.05
Rot. Bonds5

About 6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 80902169) has the molecular formula C10H14F3N5O2 and a molecular weight of 293.25 g/mol. Its IUPAC name is 6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID80902169
Molecular FormulaC10H14F3N5O2
Molecular Weight293.25 g/mol
Exact Mass293.11
IUPAC Name6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC(C)N(CC(F)(F)F)c1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14F3N5O2/c1-6(2)17(5-10(11,12)13)9-7(18(19)20)3-4-8(15-9)16-14/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyZPQLZJZQROTSFB-UHFFFAOYSA-N
XLogP2.05
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 80775846
N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916699
6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine
CID 80929654
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 80898902
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 80894166
(5-nitro-6-propan-2-yloxy-2-pyridinyl)hydrazine
CID 80911273
2-N-benzyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 113258948
2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 114044982
6-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
CID 80900840
N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine
CID 80899980
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107352890

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 80902169) is 6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CC(C)N(CC(F)(F)F)c1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is ZPQLZJZQROTSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O2/c1-6(2)17(5-10(11,12)13)9-7(18(19)20)3-4-8(15-9)16-14/h3-4,6H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 293.25 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 80902169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).