4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide

C10H11ClN6OS — CID 62865159

IUPAC4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2nc(Cl)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C10H11ClN6OS/c11-8-13-9(16-4-6-19(18)7-5-16)15-10(14-8)17-3-1-2-12-17/h1-3H,4-7H2
InChIKeySADBANKBFDWGDH-UHFFFAOYSA-N
MW298.76 g/mol
LogP0.28
Rot. Bonds2

About 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide

4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide (PubChem CID 62865159) has the molecular formula C10H11ClN6OS and a molecular weight of 298.76 g/mol. Its IUPAC name is 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide
PubChem CID62865159
Molecular FormulaC10H11ClN6OS
Molecular Weight298.76 g/mol
Exact Mass298.04
IUPAC Name4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2nc(Cl)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C10H11ClN6OS/c11-8-13-9(16-4-6-19(18)7-5-16)15-10(14-8)17-3-1-2-12-17/h1-3H,4-7H2
InChIKeySADBANKBFDWGDH-UHFFFAOYSA-N
XLogP0.28
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane
CID 62869697
2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
CID 103500945
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one
CID 62868187
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine
CID 62870214
2-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931341
2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
CID 62862834
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
CID 63607830
4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80765065
1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65324477
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885453
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764921
N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80767498

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide (CID 62865159) is 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide is O=S1CCN(c2nc(Cl)nc(-n3cccn3)n2)CC1.
What is the InChIKey of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide?
The InChIKey is SADBANKBFDWGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6OS/c11-8-13-9(16-4-6-19(18)7-5-16)15-10(14-8)17-3-1-2-12-17/h1-3H,4-7H2.
What are the key properties of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide?
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide has a molecular weight of 298.76 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 62865159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).