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

C10H14N6 — CID 118614497

IUPAC3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2ncnn2C)nc2c1CNC2
InChIInChI=1S/C10H14N6/c1-3-16-8-5-11-4-7(8)14-10(16)9-12-6-13-15(9)2/h6,11H,3-5H2,1-2H3
InChIKeyJJCSSOFBYBMYMA-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.30
Rot. Bonds2

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

3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 118614497) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID118614497
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2ncnn2C)nc2c1CNC2
InChIInChI=1S/C10H14N6/c1-3-16-8-5-11-4-7(8)14-10(16)9-12-6-13-15(9)2/h6,11H,3-5H2,1-2H3
InChIKeyJJCSSOFBYBMYMA-UHFFFAOYSA-N
XLogP0.30
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 118614497) is 3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is CCn1c(-c2ncnn2C)nc2c1CNC2.
What is the InChIKey of 3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is JJCSSOFBYBMYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-3-16-8-5-11-4-7(8)14-10(16)9-12-6-13-15(9)2/h6,11H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole has a molecular weight of 218.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).