6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

C13H19F3N4O — CID 102720531

IUPAC6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(CC1CCCCO1)c1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C13H19F3N4O/c1-20(8-10-4-2-3-5-21-10)12-7-9(13(14,15)16)6-11(18-12)19-17/h6-7,10H,2-5,8,17H2,1H3,(H,18,19)
InChIKeyZEDRXAXERZEFQT-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.39
Rot. Bonds4

About 6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720531) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720531
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(CC1CCCCO1)c1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C13H19F3N4O/c1-20(8-10-4-2-3-5-21-10)12-7-9(13(14,15)16)6-11(18-12)19-17/h6-7,10H,2-5,8,17H2,1H3,(H,18,19)
InChIKeyZEDRXAXERZEFQT-UHFFFAOYSA-N
XLogP2.39
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102720531) is 6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is CN(CC1CCCCO1)c1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of 6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZEDRXAXERZEFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-20(8-10-4-2-3-5-21-10)12-7-9(13(14,15)16)6-11(18-12)19-17/h6-7,10H,2-5,8,17H2,1H3,(H,18,19).
What are the key properties of 6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 304.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).