4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine

C9H11F3N8 — CID 80901888

IUPAC4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H11F3N8/c1-19(2)7-14-6(17-13)15-8(16-7)20-4-3-5(18-20)9(10,11)12/h3-4H,13H2,1-2H3,(H,14,15,16,17)
InChIKeyRMPSXOOWFNADQJ-UHFFFAOYSA-N
MW288.24 g/mol
LogP0.43
Rot. Bonds3

About 4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine

4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine (PubChem CID 80901888) has the molecular formula C9H11F3N8 and a molecular weight of 288.24 g/mol. Its IUPAC name is 4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
PubChem CID80901888
Molecular FormulaC9H11F3N8
Molecular Weight288.24 g/mol
Exact Mass288.11
IUPAC Name4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H11F3N8/c1-19(2)7-14-6(17-13)15-8(16-7)20-4-3-5(18-20)9(10,11)12/h3-4H,13H2,1-2H3,(H,14,15,16,17)
InChIKeyRMPSXOOWFNADQJ-UHFFFAOYSA-N
XLogP0.43
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80901191
4-hydrazinyl-N-methyl-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80899158
[4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine
CID 80902116
4-hydrazinyl-N,N-dimethyl-6-(4-methylpyrazol-1-yl)-1,3,5-triazin-2-amine
CID 80900827
2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 123885457
[5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80899957
6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80868641
N-ethyl-4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80900789
N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 82698978
N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80904002
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 114250772

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine (CID 80901888) is 4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine is CN(C)c1nc(NN)nc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is RMPSXOOWFNADQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N8/c1-19(2)7-14-6(17-13)15-8(16-7)20-4-3-5(18-20)9(10,11)12/h3-4H,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine?
4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 288.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80901888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).