(2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine

C15H13F3N6O — CID 139546635

IUPAC(2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine
SMILESN/N=c1\c(N)cccn1Cc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H13F3N6O/c16-15(17,18)14-21-12(23-25-14)10-5-3-9(4-6-10)8-24-7-1-2-11(19)13(24)22-20/h1-7H,8,19-20H2/b22-13+
InChIKeyIWNYVANPGNEWMX-LPYMAVHISA-N
MW350.30 g/mol
LogP1.96
Rot. Bonds3

About (2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine

(2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine (PubChem CID 139546635) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is (2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name(2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine
PubChem CID139546635
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC Name(2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine
SMILESN/N=c1\c(N)cccn1Cc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H13F3N6O/c16-15(17,18)14-21-12(23-25-14)10-5-3-9(4-6-10)8-24-7-1-2-11(19)13(24)22-20/h1-7H,8,19-20H2/b22-13+
InChIKeyIWNYVANPGNEWMX-LPYMAVHISA-N
XLogP1.96
TPSA108.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-[4-(triazolo[4,5-b]pyridin-4-ylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135353242
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2,4-triazol-3-amine
CID 162746240
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-2-carbaldehyde
CID 139532705
3-[4-[(5-methylindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532772
3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532692
3-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 166793542
3-methyl-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1H-pyrazol-5-one
CID 139532702
3-[4-[[5-(methoxymethyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 137414258
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanimine
CID 160536624
ethyl 5-methyl-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate
CID 139532664
3-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532637
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 137371847

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine?
The IUPAC name of (2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine (CID 139546635) is (2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for (2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine?
The canonical SMILES for (2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine is N/N=c1\c(N)cccn1Cc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of (2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine?
The InChIKey is IWNYVANPGNEWMX-LPYMAVHISA-N. The full InChI is InChI=1S/C15H13F3N6O/c16-15(17,18)14-21-12(23-25-14)10-5-3-9(4-6-10)8-24-7-1-2-11(19)13(24)22-20/h1-7H,8,19-20H2/b22-13+.
What are the key properties of (2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine?
(2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine has a molecular weight of 350.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydrazinylidene-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 139546635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).