1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine

C19H14F3N5 — CID 123576831

IUPAC1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine
SMILESFC(F)(F)c1nnc2ccc(-c3ccc(NNc4ccccc4)cc3)cn12
InChIInChI=1S/C19H14F3N5/c20-19(21,22)18-26-25-17-11-8-14(12-27(17)18)13-6-9-16(10-7-13)24-23-15-4-2-1-3-5-15/h1-12,23-24H
InChIKeyBEHCVQQEMRMZCI-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.85
Rot. Bonds4

About 1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine

1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine (PubChem CID 123576831) has the molecular formula C19H14F3N5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine.

Molecular Properties

Compound Name1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine
PubChem CID123576831
Molecular FormulaC19H14F3N5
Molecular Weight369.35 g/mol
Exact Mass369.12
IUPAC Name1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine
SMILESFC(F)(F)c1nnc2ccc(-c3ccc(NNc4ccccc4)cc3)cn12
InChIInChI=1S/C19H14F3N5/c20-19(21,22)18-26-25-17-11-8-14(12-27(17)18)13-6-9-16(10-7-13)24-23-15-4-2-1-3-5-15/h1-12,23-24H
InChIKeyBEHCVQQEMRMZCI-UHFFFAOYSA-N
XLogP4.85
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine?
The IUPAC name of 1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine (CID 123576831) is 1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine.
What is the SMILES notation for 1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine?
The canonical SMILES for 1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine is FC(F)(F)c1nnc2ccc(-c3ccc(NNc4ccccc4)cc3)cn12.
What is the InChIKey of 1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine?
The InChIKey is BEHCVQQEMRMZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5/c20-19(21,22)18-26-25-17-11-8-14(12-27(17)18)13-6-9-16(10-7-13)24-23-15-4-2-1-3-5-15/h1-12,23-24H.
What are the key properties of 1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine?
1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine has a molecular weight of 369.35 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine is sourced from PubChem (CID 123576831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).