3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine

C7H6ClN5S — CID 115000407

IUPAC3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine
SMILESCn1cc(Sc2cnnc(Cl)n2)cn1
InChIInChI=1S/C7H6ClN5S/c1-13-4-5(2-10-13)14-6-3-9-12-7(8)11-6/h2-4H,1H3
InChIKeyNDIWFSZXLNOEGR-UHFFFAOYSA-N
MW227.68 g/mol
LogP1.41
Rot. Bonds2

About 3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine

3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine (PubChem CID 115000407) has the molecular formula C7H6ClN5S and a molecular weight of 227.68 g/mol. Its IUPAC name is 3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine
PubChem CID115000407
Molecular FormulaC7H6ClN5S
Molecular Weight227.68 g/mol
Exact Mass227.00
IUPAC Name3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine
SMILESCn1cc(Sc2cnnc(Cl)n2)cn1
InChIInChI=1S/C7H6ClN5S/c1-13-4-5(2-10-13)14-6-3-9-12-7(8)11-6/h2-4H,1H3
InChIKeyNDIWFSZXLNOEGR-UHFFFAOYSA-N
XLogP1.41
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine
CID 61385318
6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine
CID 80891650
N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
CID 80891727
6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine
CID 80892034
5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 61384655
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246
3-chloro-5-(4-methylpyrimidin-2-yl)sulfanyl-1,2,4-triazine
CID 115000469
N-ethyl-6-(1-methylpyrazol-4-yl)sulfanyl-2-methylsulfanylpyrimidin-4-amine
CID 80892324
4-(1-methylpyrazol-4-yl)sulfanylaniline
CID 61384658
5-chloro-2-(1-methylpyrazol-4-yl)sulfanylbenzonitrile
CID 62492587
2-chloro-4-imidazol-1-yl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazine
CID 62867228
(1S)-1-[3-chloro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 78938909

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine?
The IUPAC name of 3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine (CID 115000407) is 3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine is Cn1cc(Sc2cnnc(Cl)n2)cn1.
What is the InChIKey of 3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine?
The InChIKey is NDIWFSZXLNOEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5S/c1-13-4-5(2-10-13)14-6-3-9-12-7(8)11-6/h2-4H,1H3.
What are the key properties of 3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine?
3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine has a molecular weight of 227.68 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine is sourced from PubChem (CID 115000407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).