3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide

C8H12N4O — CID 118614452

IUPAC3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCn1c(C(N)=O)nc2c1CNC2
InChIInChI=1S/C8H12N4O/c1-2-12-6-4-10-3-5(6)11-8(12)7(9)13/h10H,2-4H2,1H3,(H2,9,13)
InChIKeyTUBKCLIKXXKXBN-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.39
Rot. Bonds2

About 3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide

3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118614452) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118614452
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCn1c(C(N)=O)nc2c1CNC2
InChIInChI=1S/C8H12N4O/c1-2-12-6-4-10-3-5(6)11-8(12)7(9)13/h10H,2-4H2,1H3,(H2,9,13)
InChIKeyTUBKCLIKXXKXBN-UHFFFAOYSA-N
XLogP-0.39
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of 3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide (CID 118614452) is 3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for 3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for 3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide is CCn1c(C(N)=O)nc2c1CNC2.
What is the InChIKey of 3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is TUBKCLIKXXKXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-2-12-6-4-10-3-5(6)11-8(12)7(9)13/h10H,2-4H2,1H3,(H2,9,13).
What are the key properties of 3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide?
3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118614452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).