3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

C7H11N3S — CID 118613968

IUPAC3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCSc1nc2c(n1C)CNC2
InChIInChI=1S/C7H11N3S/c1-10-6-4-8-3-5(6)9-7(10)11-2/h8H,3-4H2,1-2H3
InChIKeyPGRSFXDPINGBAN-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.75
Rot. Bonds1

About 3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 118613968) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID118613968
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCSc1nc2c(n1C)CNC2
InChIInChI=1S/C7H11N3S/c1-10-6-4-8-3-5(6)9-7(10)11-2/h8H,3-4H2,1-2H3
InChIKeyPGRSFXDPINGBAN-UHFFFAOYSA-N
XLogP0.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 118613968) is 3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is CSc1nc2c(n1C)CNC2.
What is the InChIKey of 3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is PGRSFXDPINGBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-10-6-4-8-3-5(6)9-7(10)11-2/h8H,3-4H2,1-2H3.
What are the key properties of 3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole has a molecular weight of 169.25 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).