N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide

C7H11N5O — CID 89269736

IUPACN-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide
SMILESCC/N=C(\N)NC(=O)c1cnc[nH]1
InChIInChI=1S/C7H11N5O/c1-2-10-7(8)12-6(13)5-3-9-4-11-5/h3-4H,2H2,1H3,(H,9,11)(H3,8,10,12,13)
InChIKeyQZIGKAGJMIJGAM-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.53
Rot. Bonds2

About N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide

N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide (PubChem CID 89269736) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide
PubChem CID89269736
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC NameN-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide
SMILESCC/N=C(\N)NC(=O)c1cnc[nH]1
InChIInChI=1S/C7H11N5O/c1-2-10-7(8)12-6(13)5-3-9-4-11-5/h3-4H,2H2,1H3,(H,9,11)(H3,8,10,12,13)
InChIKeyQZIGKAGJMIJGAM-UHFFFAOYSA-N
XLogP-0.53
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide (CID 89269736) is N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide is CC/N=C(\N)NC(=O)c1cnc[nH]1.
What is the InChIKey of N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide?
The InChIKey is QZIGKAGJMIJGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-2-10-7(8)12-6(13)5-3-9-4-11-5/h3-4H,2H2,1H3,(H,9,11)(H3,8,10,12,13).
What are the key properties of N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide?
N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide has a molecular weight of 181.20 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 89269736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).