[4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane

About [4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane

[4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane (PubChem CID 143183433) has the molecular formula C15H14ClFN3PS and a molecular weight of 353.79 g/mol. Its IUPAC name is [4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane.

Molecular Properties

Compound Name	[4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane
PubChem CID	143183433
Molecular Formula	C15H14ClFN3PS
Molecular Weight	353.79 g/mol
Exact Mass	353.03
IUPAC Name	[4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane
SMILES	CC(C)c1nnc2cc(Cl)c(Sc3ccc(P)cc3F)cn12
InChI	InChI=1S/C15H14ClFN3PS/c1-8(2)15-19-18-14-6-10(16)13(7-20(14)15)22-12-4-3-9(21)5-11(12)17/h3-8H,21H2,1-2H3
InChIKey	KZJLHYVSRTYUHL-UHFFFAOYSA-N
XLogP	4.30
TPSA	30.19 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.79
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'phosphor', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane?

The IUPAC name of [4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane (CID 143183433) is [4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane.

What is the SMILES notation for [4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane?

The canonical SMILES for [4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane is CC(C)c1nnc2cc(Cl)c(Sc3ccc(P)cc3F)cn12.

What is the InChIKey of [4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane?

The InChIKey is KZJLHYVSRTYUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN3PS/c1-8(2)15-19-18-14-6-10(16)13(7-20(14)15)22-12-4-3-9(21)5-11(12)17/h3-8H,21H2,1-2H3.

What are the key properties of [4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane?

[4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane has a molecular weight of 353.79 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-3-fluorophenyl]phosphane is sourced from PubChem (CID 143183433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).