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

C12H17F3N4O — CID 102720626

IUPAC6-hydrazinyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNNc1cc(C(F)(F)F)cc(NCC2CCCCO2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-5-10(18-11(6-8)19-16)17-7-9-3-1-2-4-20-9/h5-6,9H,1-4,7,16H2,(H2,17,18,19)
InChIKeySIRQCGYWTHVPPE-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.37
Rot. Bonds4

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

6-hydrazinyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720626) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-hydrazinyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720626
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name6-hydrazinyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNNc1cc(C(F)(F)F)cc(NCC2CCCCO2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-5-10(18-11(6-8)19-16)17-7-9-3-1-2-4-20-9/h5-6,9H,1-4,7,16H2,(H2,17,18,19)
InChIKeySIRQCGYWTHVPPE-UHFFFAOYSA-N
XLogP2.37
TPSA72.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.37
H-Bond Donors ≤ 53
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-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102720626) is 6-hydrazinyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is NNc1cc(C(F)(F)F)cc(NCC2CCCCO2)n1.
What is the InChIKey of 6-hydrazinyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SIRQCGYWTHVPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)8-5-10(18-11(6-8)19-16)17-7-9-3-1-2-4-20-9/h5-6,9H,1-4,7,16H2,(H2,17,18,19).
What are the key properties of 6-hydrazinyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
6-hydrazinyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 290.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).