4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide

C5H9N5O — CID 167033576

IUPAC4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1[nH]c(=O)n(C)c1N
InChIInChI=1S/C5H9N5O/c1-10-4(8)2(3(6)7)9-5(10)11/h8H2,1H3,(H3,6,7)(H,9,11)
InChIKeyRRQDRNKEUXKIIG-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.42
Rot. Bonds1

About 4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide

4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide (PubChem CID 167033576) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide.

Molecular Properties

Compound Name4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide
PubChem CID167033576
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1[nH]c(=O)n(C)c1N
InChIInChI=1S/C5H9N5O/c1-10-4(8)2(3(6)7)9-5(10)11/h8H2,1H3,(H3,6,7)(H,9,11)
InChIKeyRRQDRNKEUXKIIG-UHFFFAOYSA-N
XLogP-1.42
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
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

6-imino-1,3,9-trimethyl-7H-purine-2,8-dione
CID 162652377
6-Imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione;hydrochloride
CID 136032523
6-amino-3,9-dimethyl-7H-purine-2,8-dione;hydrochloride
CID 46915371
6-Imino-3,9-dimethyl-7,9-dihydro-1h-purine-2,8(3h,6h)-dione
CID 46915372
6-Amino-1,3-dimethyl-1H-purine-2,8(3H,7H)-dione
CID 135577860
6-Imino-1,9-dimethyl-8-oxopurine
CID 180731
4,5-Diamino-1,3-dimethyl-6-methyliminopyrimidin-2-one
CID 90841358
6-imino-1,3-dimethyl-8,9-dihydro-7H-purin-2-one
CID 136207611
6-amino-9-methyl-3,7-dihydro-2H-purin-8-one
CID 170584758
ethane;3-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide
CID 171659364
4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide
CID 174331722
[amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride
CID 10511498

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide?
The IUPAC name of 4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide (CID 167033576) is 4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide.
What is the SMILES notation for 4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide?
The canonical SMILES for 4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide is [H]/N=C(\N)c1[nH]c(=O)n(C)c1N.
What is the InChIKey of 4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide?
The InChIKey is RRQDRNKEUXKIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-10-4(8)2(3(6)7)9-5(10)11/h8H2,1H3,(H3,6,7)(H,9,11).
What are the key properties of 4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide?
4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide has a molecular weight of 155.16 g/mol, XLogP of -1.42, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide is sourced from PubChem (CID 167033576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).