[1-(3-methylpyrazin-2-yl)ethylideneamino]urea

C8H11N5O — CID 102670841

IUPAC[1-(3-methylpyrazin-2-yl)ethylideneamino]urea
SMILESCC(=NNC(N)=O)c1nccnc1C
InChIInChI=1S/C8H11N5O/c1-5-7(11-4-3-10-5)6(2)12-13-8(9)14/h3-4H,1-2H3,(H3,9,13,14)
InChIKeyNIBNCCKMKSSGFX-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.18
Rot. Bonds2

About [1-(3-methylpyrazin-2-yl)ethylideneamino]urea

[1-(3-methylpyrazin-2-yl)ethylideneamino]urea (PubChem CID 102670841) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is [1-(3-methylpyrazin-2-yl)ethylideneamino]urea.

Molecular Properties

Compound Name[1-(3-methylpyrazin-2-yl)ethylideneamino]urea
PubChem CID102670841
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name[1-(3-methylpyrazin-2-yl)ethylideneamino]urea
SMILESCC(=NNC(N)=O)c1nccnc1C
InChIInChI=1S/C8H11N5O/c1-5-7(11-4-3-10-5)6(2)12-13-8(9)14/h3-4H,1-2H3,(H3,9,13,14)
InChIKeyNIBNCCKMKSSGFX-UHFFFAOYSA-N
XLogP0.18
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-pyridin-4-ylethylideneamino)urea
CID 2755736
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
[(E)-1-(furan-3-yl)ethylideneamino]urea
CID 122235604
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
4-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]benzoic acid
CID 155250087
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
CID 5354251
[1-(2-hydroxyphenyl)ethylideneamino]urea
CID 2732242
(1-aminoethylideneamino)urea
CID 85436939
[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
CID 4521675
[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea
CID 6003302
1-(3-acetylpyrazin-2-yl)ethanone
CID 22166162

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylpyrazin-2-yl)ethylideneamino]urea?
The IUPAC name of [1-(3-methylpyrazin-2-yl)ethylideneamino]urea (CID 102670841) is [1-(3-methylpyrazin-2-yl)ethylideneamino]urea.
What is the SMILES notation for [1-(3-methylpyrazin-2-yl)ethylideneamino]urea?
The canonical SMILES for [1-(3-methylpyrazin-2-yl)ethylideneamino]urea is CC(=NNC(N)=O)c1nccnc1C.
What is the InChIKey of [1-(3-methylpyrazin-2-yl)ethylideneamino]urea?
The InChIKey is NIBNCCKMKSSGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5-7(11-4-3-10-5)6(2)12-13-8(9)14/h3-4H,1-2H3,(H3,9,13,14).
What are the key properties of [1-(3-methylpyrazin-2-yl)ethylideneamino]urea?
[1-(3-methylpyrazin-2-yl)ethylideneamino]urea has a molecular weight of 193.21 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylpyrazin-2-yl)ethylideneamino]urea is sourced from PubChem (CID 102670841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).