6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane

C8H14N4S — CID 130645888

IUPAC6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane
SMILESCC1CCNC(c2cnn(C)n2)S1
InChIInChI=1S/C8H14N4S/c1-6-3-4-9-8(13-6)7-5-10-12(2)11-7/h5-6,8-9H,3-4H2,1-2H3
InChIKeyNRBMFHVCTKUGPO-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.93
Rot. Bonds1

About 6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane

6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane (PubChem CID 130645888) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane.

Molecular Properties

Compound Name6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane
PubChem CID130645888
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane
SMILESCC1CCNC(c2cnn(C)n2)S1
InChIInChI=1S/C8H14N4S/c1-6-3-4-9-8(13-6)7-5-10-12(2)11-7/h5-6,8-9H,3-4H2,1-2H3
InChIKeyNRBMFHVCTKUGPO-UHFFFAOYSA-N
XLogP0.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane?
The IUPAC name of 6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane (CID 130645888) is 6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane.
What is the SMILES notation for 6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane?
The canonical SMILES for 6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane is CC1CCNC(c2cnn(C)n2)S1.
What is the InChIKey of 6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane?
The InChIKey is NRBMFHVCTKUGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-3-4-9-8(13-6)7-5-10-12(2)11-7/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane?
6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane has a molecular weight of 198.29 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane is sourced from PubChem (CID 130645888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).