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

C9H14N4O2 — CID 118613896

IUPAC5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCN(C)C(=O)c1nc2c(n1C)CN(O)C2
InChIInChI=1S/C9H14N4O2/c1-11(2)9(14)8-10-6-4-13(15)5-7(6)12(8)3/h15H,4-5H2,1-3H3
InChIKeyAVHOJQXOAWBBDH-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.17
Rot. Bonds1

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

5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118613896) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118613896
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCN(C)C(=O)c1nc2c(n1C)CN(O)C2
InChIInChI=1S/C9H14N4O2/c1-11(2)9(14)8-10-6-4-13(15)5-7(6)12(8)3/h15H,4-5H2,1-3H3
InChIKeyAVHOJQXOAWBBDH-UHFFFAOYSA-N
XLogP-0.17
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one
CID 754902
3-(Difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613839
5-Hydroxy-2-methyl-3-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613867
3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613885
2-(Difluoromethyl)-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614117
3-(5-Hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 118614282
1-(2,3-Dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone
CID 153277592
Tert-butyl 2-acetyl-3-ethyl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 118607896
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

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of 5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (CID 118613896) is 5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for 5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is CN(C)C(=O)c1nc2c(n1C)CN(O)C2.
What is the InChIKey of 5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is AVHOJQXOAWBBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-11(2)9(14)8-10-6-4-13(15)5-7(6)12(8)3/h15H,4-5H2,1-3H3.
What are the key properties of 5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118613896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).