[(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea

C8H11N4O2+ — CID 135727000

IUPAC[(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea
SMILESC[n+]1cc(O)ccc1/C=N/NC(N)=O
InChIInChI=1S/C8H10N4O2/c1-12-5-7(13)3-2-6(12)4-10-11-8(9)14/h2-5H,1H3,(H3,9,13,14)/p+1
InChIKeyIWWSBWBPHSHOAJ-UHFFFAOYSA-O
MW195.20 g/mol
LogP-0.78
Rot. Bonds2

About [(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea

[(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea (PubChem CID 135727000) has the molecular formula C8H11N4O2+ and a molecular weight of 195.20 g/mol. Its IUPAC name is [(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea
PubChem CID135727000
Molecular FormulaC8H11N4O2+
Molecular Weight195.20 g/mol
Exact Mass195.09
IUPAC Name[(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea
SMILESC[n+]1cc(O)ccc1/C=N/NC(N)=O
InChIInChI=1S/C8H10N4O2/c1-12-5-7(13)3-2-6(12)4-10-11-8(9)14/h2-5H,1H3,(H3,9,13,14)/p+1
InChIKeyIWWSBWBPHSHOAJ-UHFFFAOYSA-O
XLogP-0.78
TPSA91.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

S-(dimethylamino) N-[(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]carbamothioate
CID 135726998
1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea
CID 135981633
[(1-methylpyridin-1-ium-2-yl)methylideneamino]urea iodide
CID 71396567
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
[(6-hydroxynaphthalen-2-yl)methylideneamino]urea
CID 168531736
6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide
CID 135727015
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
[(E)-benzylideneamino]urea
CID 6861419
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
CID 2588651
[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
CID 103942661

Frequently Asked Questions

What is the IUPAC name of [(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea?
The IUPAC name of [(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea (CID 135727000) is [(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea.
What is the SMILES notation for [(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea?
The canonical SMILES for [(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea is C[n+]1cc(O)ccc1/C=N/NC(N)=O.
What is the InChIKey of [(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea?
The InChIKey is IWWSBWBPHSHOAJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N4O2/c1-12-5-7(13)3-2-6(12)4-10-11-8(9)14/h2-5H,1H3,(H3,9,13,14)/p+1.
What are the key properties of [(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea?
[(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea has a molecular weight of 195.20 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea is sourced from PubChem (CID 135727000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).