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

C5H9N4O+ — CID 10511499

IUPAC[amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium
SMILESCn1cc(C(N)=[NH2+])[nH]c1=O
InChIInChI=1S/C5H8N4O/c1-9-2-3(4(6)7)8-5(9)10/h2H,1H3,(H3,6,7)(H,8,10)/p+1
InChIKeyWNMSWWYEMLTCPZ-UHFFFAOYSA-O
MW141.15 g/mol
LogP-2.82
Rot. Bonds1

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

[amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium (PubChem CID 10511499) has the molecular formula C5H9N4O+ and a molecular weight of 141.15 g/mol. Its IUPAC name is [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium.

Molecular Properties

Compound Name[amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium
PubChem CID10511499
Molecular FormulaC5H9N4O+
Molecular Weight141.15 g/mol
Exact Mass141.08
IUPAC Name[amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium
SMILESCn1cc(C(N)=[NH2+])[nH]c1=O
InChIInChI=1S/C5H8N4O/c1-9-2-3(4(6)7)8-5(9)10/h2H,1H3,(H3,6,7)(H,8,10)/p+1
InChIKeyWNMSWWYEMLTCPZ-UHFFFAOYSA-O
XLogP-2.82
TPSA89.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 5-2.82
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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Related Compounds

1,3-Dimethyl-2,8-dioxo purine
CID 129818009
5-Imino-4-methylidene-1-(2-methylprop-1-enyl)imidazolidin-2-one
CID 20067644
5-Imino-1-methyl-4-methylideneimidazolidin-2-one
CID 20067646
4-Imino-1,3-dimethyl-5-methylideneimidazolidin-2-one
CID 20067649
5-Imino-4-methylidene-1-propylimidazolidin-2-one
CID 21653363
1,3-Dimethyl-7,8-dihydropurin-2-one
CID 91219653
4-Imino-5-methylidene-1-propan-2-ylimidazolidin-2-one
CID 140355110
4-Imino-1-methyl-5-methylideneimidazolidin-2-one
CID 140355111
4-amino-3-methyl-2-oxo-1H-imidazole-5-carboximidamide
CID 167033576
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 [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium?
The IUPAC name of [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium (CID 10511499) is [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium.
What is the SMILES notation for [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium?
The canonical SMILES for [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium is Cn1cc(C(N)=[NH2+])[nH]c1=O.
What is the InChIKey of [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium?
The InChIKey is WNMSWWYEMLTCPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H8N4O/c1-9-2-3(4(6)7)8-5(9)10/h2H,1H3,(H3,6,7)(H,8,10)/p+1.
What are the key properties of [amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium?
[amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium has a molecular weight of 141.15 g/mol, XLogP of -2.82, 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 is sourced from PubChem (CID 10511499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).