3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile

C14H10N4OS — CID 39158934

IUPAC3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile
SMILESN#CCCn1nnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C14H10N4OS/c15-7-4-8-18-14(19)11-9-12(20-13(11)16-17-18)10-5-2-1-3-6-10/h1-3,5-6,9H,4,8H2
InChIKeyQCPFKYZMDVOQHT-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.43
Rot. Bonds3

About 3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile

3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile (PubChem CID 39158934) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile
PubChem CID39158934
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile
SMILESN#CCCn1nnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C14H10N4OS/c15-7-4-8-18-14(19)11-9-12(20-13(11)16-17-18)10-5-2-1-3-6-10/h1-3,5-6,9H,4,8H2
InChIKeyQCPFKYZMDVOQHT-UHFFFAOYSA-N
XLogP2.43
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile?
The IUPAC name of 3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile (CID 39158934) is 3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile.
What is the SMILES notation for 3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile?
The canonical SMILES for 3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile is N#CCCn1nnc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of 3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile?
The InChIKey is QCPFKYZMDVOQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c15-7-4-8-18-14(19)11-9-12(20-13(11)16-17-18)10-5-2-1-3-6-10/h1-3,5-6,9H,4,8H2.
What are the key properties of 3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile?
3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile has a molecular weight of 282.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile is sourced from PubChem (CID 39158934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).