5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine

C7H6ClN3S — CID 57416059

IUPAC5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncc2c(Cl)ccn2n1
InChIInChI=1S/C7H6ClN3S/c1-12-7-9-4-6-5(8)2-3-11(6)10-7/h2-4H,1H3
InChIKeyLKBSITYDHRQFOG-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.10
Rot. Bonds1

About 5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine

5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 57416059) has the molecular formula C7H6ClN3S and a molecular weight of 199.67 g/mol. Its IUPAC name is 5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID57416059
Molecular FormulaC7H6ClN3S
Molecular Weight199.67 g/mol
Exact Mass199.00
IUPAC Name5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncc2c(Cl)ccn2n1
InChIInChI=1S/C7H6ClN3S/c1-12-7-9-4-6-5(8)2-3-11(6)10-7/h2-4H,1H3
InChIKeyLKBSITYDHRQFOG-UHFFFAOYSA-N
XLogP2.10
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 10441749
7-Chloro-3H-[1,2,3]triazolo[4,5-b]pyridine
CID 6413748
4-Chloropyrrolo(2,1-f)(1,2,4)triazine
CID 21081683
4-Chloro-5-methylpyrrolo(2,1-f)(1,2,4)triazine
CID 21874227
6-Bromo-4-chloropyrrolo[1,2-f][1,2,4]triazine
CID 49835892
2-Methylpyrrolo(2,1-f)(1,2,4)triazin-4-amine
CID 55285512
5-Bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine
CID 72207679
5-Chloropyrazolo[1,5-c]pyrimidine
CID 83678667
2-Chloroimidazo[1,5-b]pyridazine
CID 83815407
4-Chloropyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 87096098
6-Bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine
CID 122170246
4-Chloro-6-methyl-pyrrolo[2,1-f][1,2,4]triazine
CID 163989492

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (CID 57416059) is 5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is CSc1ncc2c(Cl)ccn2n1.
What is the InChIKey of 5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is LKBSITYDHRQFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S/c1-12-7-9-4-6-5(8)2-3-11(6)10-7/h2-4H,1H3.
What are the key properties of 5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 199.67 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 57416059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).