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

C9H13N7 — CID 154019395

IUPAC3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2nnn(C)n2)nc2c1CNC2
InChIInChI=1S/C9H13N7/c1-3-16-7-5-10-4-6(7)11-9(16)8-12-14-15(2)13-8/h10H,3-5H2,1-2H3
InChIKeyZIVGTNACFARZGR-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.30
Rot. Bonds2

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

3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 154019395) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID154019395
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2nnn(C)n2)nc2c1CNC2
InChIInChI=1S/C9H13N7/c1-3-16-7-5-10-4-6(7)11-9(16)8-12-14-15(2)13-8/h10H,3-5H2,1-2H3
InChIKeyZIVGTNACFARZGR-UHFFFAOYSA-N
XLogP-0.30
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 154019395) is 3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is CCn1c(-c2nnn(C)n2)nc2c1CNC2.
What is the InChIKey of 3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is ZIVGTNACFARZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c1-3-16-7-5-10-4-6(7)11-9(16)8-12-14-15(2)13-8/h10H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole has a molecular weight of 219.25 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 154019395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).