6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C10H18N4S — CID 82047883

IUPAC6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCCCc1nnc2n1NC(C(C)C)CS2
InChIInChI=1S/C10H18N4S/c1-4-5-9-11-12-10-14(9)13-8(6-15-10)7(2)3/h7-8,13H,4-6H2,1-3H3
InChIKeyWWIQWBUNXBQLLL-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.90
Rot. Bonds3

About 6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 82047883) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID82047883
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCCCc1nnc2n1NC(C(C)C)CS2
InChIInChI=1S/C10H18N4S/c1-4-5-9-11-12-10-14(9)13-8(6-15-10)7(2)3/h7-8,13H,4-6H2,1-3H3
InChIKeyWWIQWBUNXBQLLL-UHFFFAOYSA-N
XLogP1.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 82047883) is 6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is CCCc1nnc2n1NC(C(C)C)CS2.
What is the InChIKey of 6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is WWIQWBUNXBQLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-4-5-9-11-12-10-14(9)13-8(6-15-10)7(2)3/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 226.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 82047883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).