N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide

C8H11F2N7O — CID 118614233

IUPACN'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide
SMILESCn1c(C(=N/N)/N=N/C(F)F)nc2c1CN(O)C2
InChIInChI=1S/C8H11F2N7O/c1-16-5-3-17(18)2-4(5)12-7(16)6(13-11)14-15-8(9)10/h8,18H,2-3,11H2,1H3/b13-6-,15-14+
InChIKeyWKULCSHYUSRVDL-IAWNYDFXSA-N
MW259.22 g/mol
LogP0.42
Rot. Bonds2

About N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide

N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide (PubChem CID 118614233) has the molecular formula C8H11F2N7O and a molecular weight of 259.22 g/mol. Its IUPAC name is N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide.

Molecular Properties

Compound NameN'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide
PubChem CID118614233
Molecular FormulaC8H11F2N7O
Molecular Weight259.22 g/mol
Exact Mass259.10
IUPAC NameN'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide
SMILESCn1c(C(=N/N)/N=N/C(F)F)nc2c1CN(O)C2
InChIInChI=1S/C8H11F2N7O/c1-16-5-3-17(18)2-4(5)12-7(16)6(13-11)14-15-8(9)10/h8,18H,2-3,11H2,1H3/b13-6-,15-14+
InChIKeyWKULCSHYUSRVDL-IAWNYDFXSA-N
XLogP0.42
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CID 57931332
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
3-(Difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613839
5-Hydroxy-3-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613863
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
3-(Difluoromethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614083
3-(Difluoromethyl)-2-[1-(difluoromethyl)tetrazol-5-yl]-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614084
3-(Difluoromethyl)-5-hydroxy-2-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614091
2-[4-(Difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614094

Frequently Asked Questions

What is the IUPAC name of N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide?
The IUPAC name of N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide (CID 118614233) is N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide.
What is the SMILES notation for N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide?
The canonical SMILES for N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide is Cn1c(C(=N/N)/N=N/C(F)F)nc2c1CN(O)C2.
What is the InChIKey of N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide?
The InChIKey is WKULCSHYUSRVDL-IAWNYDFXSA-N. The full InChI is InChI=1S/C8H11F2N7O/c1-16-5-3-17(18)2-4(5)12-7(16)6(13-11)14-15-8(9)10/h8,18H,2-3,11H2,1H3/b13-6-,15-14+.
What are the key properties of N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide?
N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide has a molecular weight of 259.22 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide is sourced from PubChem (CID 118614233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).