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

C8H9F2N7 — CID 161351330

IUPAC2-[2-(difluoromethyl)tetrazol-5-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCn1c(-c2nnn(C(F)F)n2)nc2c1CNC2
InChIInChI=1S/C8H9F2N7/c1-16-5-3-11-2-4(5)12-7(16)6-13-15-17(14-6)8(9)10/h8,11H,2-3H2,1H3
InChIKeyFKLGJLCZCPOSOB-UHFFFAOYSA-N
MW241.20 g/mol
LogP0.07
Rot. Bonds2

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

2-[2-(difluoromethyl)tetrazol-5-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 161351330) has the molecular formula C8H9F2N7 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)tetrazol-5-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name2-[2-(difluoromethyl)tetrazol-5-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID161351330
Molecular FormulaC8H9F2N7
Molecular Weight241.20 g/mol
Exact Mass241.09
IUPAC Name2-[2-(difluoromethyl)tetrazol-5-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCn1c(-c2nnn(C(F)F)n2)nc2c1CNC2
InChIInChI=1S/C8H9F2N7/c1-16-5-3-11-2-4(5)12-7(16)6-13-15-17(14-6)8(9)10/h8,11H,2-3H2,1H3
InChIKeyFKLGJLCZCPOSOB-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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)tetrazol-5-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 2-[2-(difluoromethyl)tetrazol-5-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 161351330) is 2-[2-(difluoromethyl)tetrazol-5-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 2-[2-(difluoromethyl)tetrazol-5-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 2-[2-(difluoromethyl)tetrazol-5-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is Cn1c(-c2nnn(C(F)F)n2)nc2c1CNC2.
What is the InChIKey of 2-[2-(difluoromethyl)tetrazol-5-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is FKLGJLCZCPOSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N7/c1-16-5-3-11-2-4(5)12-7(16)6-13-15-17(14-6)8(9)10/h8,11H,2-3H2,1H3.
What are the key properties of 2-[2-(difluoromethyl)tetrazol-5-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
2-[2-(difluoromethyl)tetrazol-5-yl]-3-methyl-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 2-[2-(difluoromethyl)tetrazol-5-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 161351330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).