6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C11H11FN4S — CID 106430620

IUPAC6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC#CCSCCNc1nc2ccc(F)cn2n1
InChIInChI=1S/C11H11FN4S/c1-2-6-17-7-5-13-11-14-10-4-3-9(12)8-16(10)15-11/h1,3-4,8H,5-7H2,(H,13,15)
InChIKeyNTVGDJCPXBBAOI-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.65
Rot. Bonds5

About 6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106430620) has the molecular formula C11H11FN4S and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106430620
Molecular FormulaC11H11FN4S
Molecular Weight250.30 g/mol
Exact Mass250.07
IUPAC Name6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC#CCSCCNc1nc2ccc(F)cn2n1
InChIInChI=1S/C11H11FN4S/c1-2-6-17-7-5-13-11-14-10-4-3-9(12)8-16(10)15-11/h1,3-4,8H,5-7H2,(H,13,15)
InChIKeyNTVGDJCPXBBAOI-UHFFFAOYSA-N
XLogP1.65
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106430620) is 6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is C#CCSCCNc1nc2ccc(F)cn2n1.
What is the InChIKey of 6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is NTVGDJCPXBBAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4S/c1-2-6-17-7-5-13-11-14-10-4-3-9(12)8-16(10)15-11/h1,3-4,8H,5-7H2,(H,13,15).
What are the key properties of 6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106430620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).