5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile

C7H8N4O — CID 118613835

IUPAC5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile
SMILESCn1c(C#N)nc2c1CN(O)C2
InChIInChI=1S/C7H8N4O/c1-10-6-4-11(12)3-5(6)9-7(10)2-8/h12H,3-4H2,1H3
InChIKeyUGLTWHNXHLRZPL-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.00
Rot. Bonds

About 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile

5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile (PubChem CID 118613835) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile
PubChem CID118613835
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile
SMILESCn1c(C#N)nc2c1CN(O)C2
InChIInChI=1S/C7H8N4O/c1-10-6-4-11(12)3-5(6)9-7(10)2-8/h12H,3-4H2,1H3
InChIKeyUGLTWHNXHLRZPL-UHFFFAOYSA-N
XLogP-0.00
TPSA65.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-propan-2-yl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 57931370
3,5-Dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 70875703
5-Hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613806
5-Hydroxy-2-methyl-3-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613867
2-(Difluoromethyl)-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614117
N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide
CID 118614233
2-[1-(Difluoromethyl)-2,3-dihydrotetrazol-5-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614235
N-(aminomethylidene)-3-(difluoromethyl)-5-hydroxy-N'-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide
CID 144979207
2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 11240511
1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine
CID 23332852
2,3-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 82418516
5-Hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613800

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile?
The IUPAC name of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile (CID 118613835) is 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile.
What is the SMILES notation for 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile?
The canonical SMILES for 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile is Cn1c(C#N)nc2c1CN(O)C2.
What is the InChIKey of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile?
The InChIKey is UGLTWHNXHLRZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-10-6-4-11(12)3-5(6)9-7(10)2-8/h12H,3-4H2,1H3.
What are the key properties of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile?
5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile has a molecular weight of 164.17 g/mol, XLogP of -0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile is sourced from PubChem (CID 118613835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).