6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine

C9H16N4O2S — CID 118684218

IUPAC6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC(C)c1nnc2n1CN(S(C)(=O)=O)CC2
InChIInChI=1S/C9H16N4O2S/c1-7(2)9-11-10-8-4-5-12(6-13(8)9)16(3,14)15/h7H,4-6H2,1-3H3
InChIKeyVQYUKGDJGIPUHW-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.18
Rot. Bonds2

About 6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine

6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 118684218) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID118684218
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC(C)c1nnc2n1CN(S(C)(=O)=O)CC2
InChIInChI=1S/C9H16N4O2S/c1-7(2)9-11-10-8-4-5-12(6-13(8)9)16(3,14)15/h7H,4-6H2,1-3H3
InChIKeyVQYUKGDJGIPUHW-UHFFFAOYSA-N
XLogP0.18
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine (CID 118684218) is 6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine is CC(C)c1nnc2n1CN(S(C)(=O)=O)CC2.
What is the InChIKey of 6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is VQYUKGDJGIPUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-7(2)9-11-10-8-4-5-12(6-13(8)9)16(3,14)15/h7H,4-6H2,1-3H3.
What are the key properties of 6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine?
6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 244.32 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 118684218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).