6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine

C11H12F3N5O — CID 102720647

IUPAC6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(CNc2cc(C(F)(F)F)cc(NN)n2)on1
InChIInChI=1S/C11H12F3N5O/c1-6-2-8(20-19-6)5-16-9-3-7(11(12,13)14)4-10(17-9)18-15/h2-4H,5,15H2,1H3,(H2,16,17,18)
InChIKeyPHZSSCDKALXLBJ-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.29
Rot. Bonds4

About 6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine

6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720647) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720647
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(CNc2cc(C(F)(F)F)cc(NN)n2)on1
InChIInChI=1S/C11H12F3N5O/c1-6-2-8(20-19-6)5-16-9-3-7(11(12,13)14)4-10(17-9)18-15/h2-4H,5,15H2,1H3,(H2,16,17,18)
InChIKeyPHZSSCDKALXLBJ-UHFFFAOYSA-N
XLogP2.29
TPSA89.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 102720647) is 6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine is Cc1cc(CNc2cc(C(F)(F)F)cc(NN)n2)on1.
What is the InChIKey of 6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PHZSSCDKALXLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-6-2-8(20-19-6)5-16-9-3-7(11(12,13)14)4-10(17-9)18-15/h2-4H,5,15H2,1H3,(H2,16,17,18).
What are the key properties of 6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 287.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).