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

C8H9F2N7 — CID 160515259

IUPAC3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCn1nnnc1-c1nc2c(n1C(F)F)CNC2
InChIInChI=1S/C8H9F2N7/c1-16-7(13-14-15-16)6-12-4-2-11-3-5(4)17(6)8(9)10/h8,11H,2-3H2,1H3
InChIKeyDWIUQTRIMCDSIH-UHFFFAOYSA-N
MW241.20 g/mol
LogP0.07
Rot. Bonds2

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

3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 160515259) has the molecular formula C8H9F2N7 and a molecular weight of 241.20 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID160515259
Molecular FormulaC8H9F2N7
Molecular Weight241.20 g/mol
Exact Mass241.09
IUPAC Name3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCn1nnnc1-c1nc2c(n1C(F)F)CNC2
InChIInChI=1S/C8H9F2N7/c1-16-7(13-14-15-16)6-12-4-2-11-3-5(4)17(6)8(9)10/h8,11H,2-3H2,1H3
InChIKeyDWIUQTRIMCDSIH-UHFFFAOYSA-N
XLogP0.07
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 160515259) is 3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is Cn1nnnc1-c1nc2c(n1C(F)F)CNC2.
What is the InChIKey of 3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is DWIUQTRIMCDSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N7/c1-16-7(13-14-15-16)6-12-4-2-11-3-5(4)17(6)8(9)10/h8,11H,2-3H2,1H3.
What are the key properties of 3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole has a molecular weight of 241.20 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-(1-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 160515259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).