[(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea

C7H10N6O3 — CID 51062678

IUPAC[(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea
SMILESCn1c([N+](=O)[O-])cnc1C/C=N\NC(N)=O
InChIInChI=1S/C7H10N6O3/c1-12-5(2-3-10-11-7(8)14)9-4-6(12)13(15)16/h3-4H,2H2,1H3,(H3,8,11,14)/b10-3-
InChIKeyPBZUHYYGYBLPSJ-KMKOMSMNSA-N
MW226.20 g/mol
LogP-0.48
Rot. Bonds4

About [(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea

[(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea (PubChem CID 51062678) has the molecular formula C7H10N6O3 and a molecular weight of 226.20 g/mol. Its IUPAC name is [(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea
PubChem CID51062678
Molecular FormulaC7H10N6O3
Molecular Weight226.20 g/mol
Exact Mass226.08
IUPAC Name[(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea
SMILESCn1c([N+](=O)[O-])cnc1C/C=N\NC(N)=O
InChIInChI=1S/C7H10N6O3/c1-12-5(2-3-10-11-7(8)14)9-4-6(12)13(15)16/h3-4H,2H2,1H3,(H3,8,11,14)/b10-3-
InChIKeyPBZUHYYGYBLPSJ-KMKOMSMNSA-N
XLogP-0.48
TPSA128.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea?
The IUPAC name of [(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea (CID 51062678) is [(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea.
What is the SMILES notation for [(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea?
The canonical SMILES for [(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea is Cn1c([N+](=O)[O-])cnc1C/C=N\NC(N)=O.
What is the InChIKey of [(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea?
The InChIKey is PBZUHYYGYBLPSJ-KMKOMSMNSA-N. The full InChI is InChI=1S/C7H10N6O3/c1-12-5(2-3-10-11-7(8)14)9-4-6(12)13(15)16/h3-4H,2H2,1H3,(H3,8,11,14)/b10-3-.
What are the key properties of [(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea?
[(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea has a molecular weight of 226.20 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(1-methyl-5-nitroimidazol-2-yl)ethylideneamino]urea is sourced from PubChem (CID 51062678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).