2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile

C9H6N4S2 — CID 17424131

IUPAC2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile
SMILESN#CCSc1nncc(-c2cccs2)n1
InChIInChI=1S/C9H6N4S2/c10-3-5-15-9-12-7(6-11-13-9)8-2-1-4-14-8/h1-2,4,6H,5H2
InChIKeyMPFTXIIJPXDZNY-UHFFFAOYSA-N
MW234.31 g/mol
LogP2.22
Rot. Bonds3

About 2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile

2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile (PubChem CID 17424131) has the molecular formula C9H6N4S2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile
PubChem CID17424131
Molecular FormulaC9H6N4S2
Molecular Weight234.31 g/mol
Exact Mass234.00
IUPAC Name2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile
SMILESN#CCSc1nncc(-c2cccs2)n1
InChIInChI=1S/C9H6N4S2/c10-3-5-15-9-12-7(6-11-13-9)8-2-1-4-14-8/h1-2,4,6H,5H2
InChIKeyMPFTXIIJPXDZNY-UHFFFAOYSA-N
XLogP2.22
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile?
The IUPAC name of 2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile (CID 17424131) is 2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile.
What is the SMILES notation for 2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile?
The canonical SMILES for 2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile is N#CCSc1nncc(-c2cccs2)n1.
What is the InChIKey of 2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile?
The InChIKey is MPFTXIIJPXDZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S2/c10-3-5-15-9-12-7(6-11-13-9)8-2-1-4-14-8/h1-2,4,6H,5H2.
What are the key properties of 2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile?
2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile has a molecular weight of 234.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile is sourced from PubChem (CID 17424131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).