ethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide

C8H15N5O — CID 171659364

IUPACethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide
SMILESCC.[H]/N=C(\N)c1[nH]c(=O)n(C)c1N=C
InChIInChI=1S/C6H9N5O.C2H6/c1-9-5-3(4(7)8)10-6(12)11(5)2;1-2/h1H2,2H3,(H3,7,8)(H,10,12);1-2H3
InChIKeySIVBZZDKTRINTP-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.36
Rot. Bonds2

About ethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide

ethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide (PubChem CID 171659364) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is ethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide.

Molecular Properties

Compound Nameethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide
PubChem CID171659364
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Nameethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide
SMILESCC.[H]/N=C(\N)c1[nH]c(=O)n(C)c1N=C
InChIInChI=1S/C6H9N5O.C2H6/c1-9-5-3(4(7)8)10-6(12)11(5)2;1-2/h1H2,2H3,(H3,7,8)(H,10,12);1-2H3
InChIKeySIVBZZDKTRINTP-UHFFFAOYSA-N
XLogP0.36
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Caissarone
CID 129212
6-Imino-3,9-dimethyl-7,9-dihydro-1h-purine-2,8(3h,6h)-dione
CID 46915372
6-Imino-1,9-dimethyl-8-oxopurine
CID 180731
6-(Dimethylamino)-9-methyl-2,7-dihydropurin-2-id-8-one;yttrium
CID 57642824
6-Imino-3-methyl-7,9-dihydropurin-8-one
CID 135546996
4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide
CID 167033576
6-amino-9-methyl-3,7-dihydro-2H-purin-8-one
CID 170584758
4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide
CID 174331722
[amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium
CID 10511499
6-Amino-3,9-dimethyl-2,7-dihydropurin-1-ium-8-one chloride
CID 10536765
6-Amino-3,9-dimethyl-2,7-dihydropurin-1-ium-8-one
CID 10536766
6-imino-3,9-dimethyl-7H-purin-8-one
CID 10678910

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide?
The IUPAC name of ethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide (CID 171659364) is ethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide.
What is the SMILES notation for ethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide?
The canonical SMILES for ethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide is CC.[H]/N=C(\N)c1[nH]c(=O)n(C)c1N=C.
What is the InChIKey of ethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide?
The InChIKey is SIVBZZDKTRINTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O.C2H6/c1-9-5-3(4(7)8)10-6(12)11(5)2;1-2/h1H2,2H3,(H3,7,8)(H,10,12);1-2H3.
What are the key properties of ethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide?
ethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide has a molecular weight of 197.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide is sourced from PubChem (CID 171659364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).