N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine

C13H13F3N4 — CID 102720987

IUPACN-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
SMILESNNc1cc(C(F)(F)F)cc(NCc2ccccc2)n1
InChIInChI=1S/C13H13F3N4/c14-13(15,16)10-6-11(19-12(7-10)20-17)18-8-9-4-2-1-3-5-9/h1-7H,8,17H2,(H2,18,19,20)
InChIKeyXMJYPSYEOXHHCY-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.00
Rot. Bonds4

About N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine

N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720987) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720987
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC NameN-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
SMILESNNc1cc(C(F)(F)F)cc(NCc2ccccc2)n1
InChIInChI=1S/C13H13F3N4/c14-13(15,16)10-6-11(19-12(7-10)20-17)18-8-9-4-2-1-3-5-9/h1-7H,8,17H2,(H2,18,19,20)
InChIKeyXMJYPSYEOXHHCY-UHFFFAOYSA-N
XLogP3.00
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-(furan-3-ylmethyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102721141
N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80932956
6-N-[(4-chlorophenyl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717237
6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717360
6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720647
2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717377
6-hydrazinyl-4-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
CID 106434144
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 102720469
N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720794
N-hexyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720771
N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine
CID 77230922
6-hydrazinyl-4-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)pyridin-2-amine
CID 102720633

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720987) is N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine is NNc1cc(C(F)(F)F)cc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XMJYPSYEOXHHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c14-13(15,16)10-6-11(19-12(7-10)20-17)18-8-9-4-2-1-3-5-9/h1-7H,8,17H2,(H2,18,19,20).
What are the key properties of N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 282.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).