4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide

C7H11N5O — CID 174331722

IUPAC4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1[nH]c(=O)n(C)c1N=CC
InChIInChI=1S/C7H11N5O/c1-3-10-6-4(5(8)9)11-7(13)12(6)2/h3H,1-2H3,(H3,8,9)(H,11,13)
InChIKeyWRWIVOOVEJTDRP-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.28
Rot. Bonds2

About 4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide

4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide (PubChem CID 174331722) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide.

Molecular Properties

Compound Name4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide
PubChem CID174331722
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1[nH]c(=O)n(C)c1N=CC
InChIInChI=1S/C7H11N5O/c1-3-10-6-4(5(8)9)11-7(13)12(6)2/h3H,1-2H3,(H3,8,9)(H,11,13)
InChIKeyWRWIVOOVEJTDRP-UHFFFAOYSA-N
XLogP-0.28
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.28
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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Frequently Asked Questions

What is the IUPAC name of 4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide?
The IUPAC name of 4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide (CID 174331722) is 4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide.
What is the SMILES notation for 4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide?
The canonical SMILES for 4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide is [H]/N=C(\N)c1[nH]c(=O)n(C)c1N=CC.
What is the InChIKey of 4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide?
The InChIKey is WRWIVOOVEJTDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-3-10-6-4(5(8)9)11-7(13)12(6)2/h3H,1-2H3,(H3,8,9)(H,11,13).
What are the key properties of 4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide?
4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide has a molecular weight of 181.20 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide is sourced from PubChem (CID 174331722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).