[amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride

C5H9ClN4O — CID 10511498

IUPAC[amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride
SMILESCn1cc(C(N)=[NH2+])[nH]c1=O.[Cl-]
InChIInChI=1S/C5H8N4O.ClH/c1-9-2-3(4(6)7)8-5(9)10;/h2H,1H3,(H3,6,7)(H,8,10);1H
InChIKeyPMGDGSDNQOIMMF-UHFFFAOYSA-N
MW176.61 g/mol
LogP-5.82
Rot. Bonds1

About [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride

[amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride (PubChem CID 10511498) has the molecular formula C5H9ClN4O and a molecular weight of 176.61 g/mol. Its IUPAC name is [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride.

Molecular Properties

Compound Name[amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride
PubChem CID10511498
Molecular FormulaC5H9ClN4O
Molecular Weight176.61 g/mol
Exact Mass176.05
IUPAC Name[amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride
SMILESCn1cc(C(N)=[NH2+])[nH]c1=O.[Cl-]
InChIInChI=1S/C5H8N4O.ClH/c1-9-2-3(4(6)7)8-5(9)10;/h2H,1H3,(H3,6,7)(H,8,10);1H
InChIKeyPMGDGSDNQOIMMF-UHFFFAOYSA-N
XLogP-5.82
TPSA89.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.61
LogP ≤ 5-5.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride?
The IUPAC name of [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride (CID 10511498) is [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride.
What is the SMILES notation for [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride?
The canonical SMILES for [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride is Cn1cc(C(N)=[NH2+])[nH]c1=O.[Cl-].
What is the InChIKey of [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride?
The InChIKey is PMGDGSDNQOIMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O.ClH/c1-9-2-3(4(6)7)8-5(9)10;/h2H,1H3,(H3,6,7)(H,8,10);1H.
What are the key properties of [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride?
[amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride has a molecular weight of 176.61 g/mol, XLogP of -5.82, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium chloride is sourced from PubChem (CID 10511498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).