3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide

C8H12N4O2 — CID 118613862

IUPAC3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCn1c(C(N)=O)nc2c1CN(O)C2
InChIInChI=1S/C8H12N4O2/c1-2-12-6-4-11(14)3-5(6)10-8(12)7(9)13/h14H,2-4H2,1H3,(H2,9,13)
InChIKeyNEYSCFXZRLCVJZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.29
Rot. Bonds2

About 3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide

3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118613862) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118613862
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCn1c(C(N)=O)nc2c1CN(O)C2
InChIInChI=1S/C8H12N4O2/c1-2-12-6-4-11(14)3-5(6)10-8(12)7(9)13/h14H,2-4H2,1H3,(H2,9,13)
InChIKeyNEYSCFXZRLCVJZ-UHFFFAOYSA-N
XLogP-0.29
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613839
3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613885
Tert-butyl 2-carbamoyl-3-(difluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 118614502
N-(aminomethylidene)-3-(difluoromethyl)-5-hydroxy-N'-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide
CID 144979207
5-Hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613800
Methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate
CID 118613833
5-Hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile
CID 118613835
3-Ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613836
N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613840
N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613842
3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613843
3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613847

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of 3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (CID 118613862) is 3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for 3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for 3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is CCn1c(C(N)=O)nc2c1CN(O)C2.
What is the InChIKey of 3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is NEYSCFXZRLCVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-12-6-4-11(14)3-5(6)10-8(12)7(9)13/h14H,2-4H2,1H3,(H2,9,13).
What are the key properties of 3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118613862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).