6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine

C10H16ClN5O2S — CID 171553422

IUPAC6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine
SMILESCc1nc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1Cl
InChIInChI=1S/C10H16ClN5O2S/c1-7-6-15(4-5-16(7)19(3,17)18)10-12-8(2)9(11)13-14-10/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyCVICWHKXMBIIQW-ZETCQYMHSA-N
MW305.79 g/mol
LogP0.30
Rot. Bonds2

About 6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine

6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine (PubChem CID 171553422) has the molecular formula C10H16ClN5O2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine
PubChem CID171553422
Molecular FormulaC10H16ClN5O2S
Molecular Weight305.79 g/mol
Exact Mass305.07
IUPAC Name6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine
SMILESCc1nc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1Cl
InChIInChI=1S/C10H16ClN5O2S/c1-7-6-15(4-5-16(7)19(3,17)18)10-12-8(2)9(11)13-14-10/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyCVICWHKXMBIIQW-ZETCQYMHSA-N
XLogP0.30
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine?
The IUPAC name of 6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine (CID 171553422) is 6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine.
What is the SMILES notation for 6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine?
The canonical SMILES for 6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine is Cc1nc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1Cl.
What is the InChIKey of 6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine?
The InChIKey is CVICWHKXMBIIQW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16ClN5O2S/c1-7-6-15(4-5-16(7)19(3,17)18)10-12-8(2)9(11)13-14-10/h7H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of 6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine?
6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine has a molecular weight of 305.79 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine is sourced from PubChem (CID 171553422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).