[[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea

C10H12N6O2 — CID 6803115

IUPAC[[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea
SMILESNC(=O)NN=CC(=NNC(N)=O)c1ccccc1
InChIInChI=1S/C10H12N6O2/c11-9(17)15-13-6-8(14-16-10(12)18)7-4-2-1-3-5-7/h1-6H,(H3,11,15,17)(H3,12,16,18)
InChIKeyDUWNSOKPRGFCFS-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.29
Rot. Bonds4

About [[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea

[[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea (PubChem CID 6803115) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is [[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea.

Molecular Properties

Compound Name[[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea
PubChem CID6803115
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name[[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea
SMILESNC(=O)NN=CC(=NNC(N)=O)c1ccccc1
InChIInChI=1S/C10H12N6O2/c11-9(17)15-13-6-8(14-16-10(12)18)7-4-2-1-3-5-7/h1-6H,(H3,11,15,17)(H3,12,16,18)
InChIKeyDUWNSOKPRGFCFS-UHFFFAOYSA-N
XLogP-0.29
TPSA134.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of [[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea?
The IUPAC name of [[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea (CID 6803115) is [[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea.
What is the SMILES notation for [[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea?
The canonical SMILES for [[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea is NC(=O)NN=CC(=NNC(N)=O)c1ccccc1.
What is the InChIKey of [[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea?
The InChIKey is DUWNSOKPRGFCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c11-9(17)15-13-6-8(14-16-10(12)18)7-4-2-1-3-5-7/h1-6H,(H3,11,15,17)(H3,12,16,18).
What are the key properties of [[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea?
[[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea has a molecular weight of 248.25 g/mol, XLogP of -0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea is sourced from PubChem (CID 6803115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).