3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

C8H11N7 — CID 118613951

IUPAC3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCn1nnnc1-c1nc2c(n1C)CNC2
InChIInChI=1S/C8H11N7/c1-14-6-4-9-3-5(6)10-7(14)8-11-12-13-15(8)2/h9H,3-4H2,1-2H3
InChIKeyQURHKJIKRHVMAZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.79
Rot. Bonds1

About 3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 118613951) has the molecular formula C8H11N7 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID118613951
Molecular FormulaC8H11N7
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCn1nnnc1-c1nc2c(n1C)CNC2
InChIInChI=1S/C8H11N7/c1-14-6-4-9-3-5(6)10-7(14)8-11-12-13-15(8)2/h9H,3-4H2,1-2H3
InChIKeyQURHKJIKRHVMAZ-UHFFFAOYSA-N
XLogP-0.79
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 118613951) is 3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is Cn1nnnc1-c1nc2c(n1C)CNC2.
What is the InChIKey of 3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is QURHKJIKRHVMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-14-6-4-9-3-5(6)10-7(14)8-11-12-13-15(8)2/h9H,3-4H2,1-2H3.
What are the key properties of 3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole has a molecular weight of 205.22 g/mol, XLogP of -0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).