3-chloro-5-thiophen-2-yl-1,2,4-triazine

C7H4ClN3S — CID 82469277

IUPAC3-chloro-5-thiophen-2-yl-1,2,4-triazine
SMILESClc1nncc(-c2cccs2)n1
InChIInChI=1S/C7H4ClN3S/c8-7-10-5(4-9-11-7)6-2-1-3-12-6/h1-4H
InChIKeyMDMGCAKLGRGNQL-UHFFFAOYSA-N
MW197.65 g/mol
LogP2.25
Rot. Bonds1

About 3-chloro-5-thiophen-2-yl-1,2,4-triazine

3-chloro-5-thiophen-2-yl-1,2,4-triazine (PubChem CID 82469277) has the molecular formula C7H4ClN3S and a molecular weight of 197.65 g/mol. Its IUPAC name is 3-chloro-5-thiophen-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-thiophen-2-yl-1,2,4-triazine
PubChem CID82469277
Molecular FormulaC7H4ClN3S
Molecular Weight197.65 g/mol
Exact Mass196.98
IUPAC Name3-chloro-5-thiophen-2-yl-1,2,4-triazine
SMILESClc1nncc(-c2cccs2)n1
InChIInChI=1S/C7H4ClN3S/c8-7-10-5(4-9-11-7)6-2-1-3-12-6/h1-4H
InChIKeyMDMGCAKLGRGNQL-UHFFFAOYSA-N
XLogP2.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.65
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-thiophen-2-yl-1,2,4-triazine?
The IUPAC name of 3-chloro-5-thiophen-2-yl-1,2,4-triazine (CID 82469277) is 3-chloro-5-thiophen-2-yl-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-thiophen-2-yl-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-thiophen-2-yl-1,2,4-triazine is Clc1nncc(-c2cccs2)n1.
What is the InChIKey of 3-chloro-5-thiophen-2-yl-1,2,4-triazine?
The InChIKey is MDMGCAKLGRGNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3S/c8-7-10-5(4-9-11-7)6-2-1-3-12-6/h1-4H.
What are the key properties of 3-chloro-5-thiophen-2-yl-1,2,4-triazine?
3-chloro-5-thiophen-2-yl-1,2,4-triazine has a molecular weight of 197.65 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-thiophen-2-yl-1,2,4-triazine is sourced from PubChem (CID 82469277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).