3-thiophen-2-yl-1,2,4-triazine

C7H5N3S — CID 19983588

IUPAC3-thiophen-2-yl-1,2,4-triazine
SMILESc1csc(-c2nccnn2)c1
InChIInChI=1S/C7H5N3S/c1-2-6(11-5-1)7-8-3-4-9-10-7/h1-5H
InChIKeyOXECLNLESYMGKC-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.60
Rot. Bonds1

About 3-thiophen-2-yl-1,2,4-triazine

3-thiophen-2-yl-1,2,4-triazine (PubChem CID 19983588) has the molecular formula C7H5N3S and a molecular weight of 163.20 g/mol. Its IUPAC name is 3-thiophen-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-thiophen-2-yl-1,2,4-triazine
PubChem CID19983588
Molecular FormulaC7H5N3S
Molecular Weight163.20 g/mol
Exact Mass163.02
IUPAC Name3-thiophen-2-yl-1,2,4-triazine
SMILESc1csc(-c2nccnn2)c1
InChIInChI=1S/C7H5N3S/c1-2-6(11-5-1)7-8-3-4-9-10-7/h1-5H
InChIKeyOXECLNLESYMGKC-UHFFFAOYSA-N
XLogP1.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1,2,4-triazine?
The IUPAC name of 3-thiophen-2-yl-1,2,4-triazine (CID 19983588) is 3-thiophen-2-yl-1,2,4-triazine.
What is the SMILES notation for 3-thiophen-2-yl-1,2,4-triazine?
The canonical SMILES for 3-thiophen-2-yl-1,2,4-triazine is c1csc(-c2nccnn2)c1.
What is the InChIKey of 3-thiophen-2-yl-1,2,4-triazine?
The InChIKey is OXECLNLESYMGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3S/c1-2-6(11-5-1)7-8-3-4-9-10-7/h1-5H.
What are the key properties of 3-thiophen-2-yl-1,2,4-triazine?
3-thiophen-2-yl-1,2,4-triazine has a molecular weight of 163.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1,2,4-triazine is sourced from PubChem (CID 19983588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).