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

C9H14N4O2 — CID 118613843

IUPAC3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCn1c(C(=O)NC)nc2c1CN(O)C2
InChIInChI=1S/C9H14N4O2/c1-3-13-7-5-12(15)4-6(7)11-8(13)9(14)10-2/h15H,3-5H2,1-2H3,(H,10,14)
InChIKeyYYQICGJBJWQSKK-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.03
Rot. Bonds2

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

3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118613843) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118613843
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCn1c(C(=O)NC)nc2c1CN(O)C2
InChIInChI=1S/C9H14N4O2/c1-3-13-7-5-12(15)4-6(7)11-8(13)9(14)10-2/h15H,3-5H2,1-2H3,(H,10,14)
InChIKeyYYQICGJBJWQSKK-UHFFFAOYSA-N
XLogP-0.03
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.03
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
N-(aminomethylidene)-3-(difluoromethyl)-5-hydroxy-N'-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide
CID 144979207
Methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate
CID 118613833
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-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613847
3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613851
5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613856
5-Hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid
CID 118613858
3-Ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613862

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of 3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (CID 118613843) is 3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for 3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for 3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is CCn1c(C(=O)NC)nc2c1CN(O)C2.
What is the InChIKey of 3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is YYQICGJBJWQSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-13-7-5-12(15)4-6(7)11-8(13)9(14)10-2/h15H,3-5H2,1-2H3,(H,10,14).
What are the key properties of 3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.03, 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-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118613843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).