[(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea

C13H18N6O2 — CID 6894304

IUPAC[(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea
SMILESCc1cc(C)c(/C=N/NC(N)=O)c(C)c1/C=N/NC(N)=O
InChIInChI=1S/C13H18N6O2/c1-7-4-8(2)11(6-17-19-13(15)21)9(3)10(7)5-16-18-12(14)20/h4-6H,1-3H3,(H3,14,18,20)(H3,15,19,21)/b16-5+,17-6+
InChIKeyKPFQADIBALKGQQ-MFQOAVFDSA-N
MW290.33 g/mol
LogP0.62
Rot. Bonds4

About [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea

[(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea (PubChem CID 6894304) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea
PubChem CID6894304
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name[(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea
SMILESCc1cc(C)c(/C=N/NC(N)=O)c(C)c1/C=N/NC(N)=O
InChIInChI=1S/C13H18N6O2/c1-7-4-8(2)11(6-17-19-13(15)21)9(3)10(7)5-16-18-12(14)20/h4-6H,1-3H3,(H3,14,18,20)(H3,15,19,21)/b16-5+,17-6+
InChIKeyKPFQADIBALKGQQ-MFQOAVFDSA-N
XLogP0.62
TPSA134.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.62
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 [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea?
The IUPAC name of [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea (CID 6894304) is [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea is Cc1cc(C)c(/C=N/NC(N)=O)c(C)c1/C=N/NC(N)=O.
What is the InChIKey of [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea?
The InChIKey is KPFQADIBALKGQQ-MFQOAVFDSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-7-4-8(2)11(6-17-19-13(15)21)9(3)10(7)5-16-18-12(14)20/h4-6H,1-3H3,(H3,14,18,20)(H3,15,19,21)/b16-5+,17-6+.
What are the key properties of [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea?
[(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea has a molecular weight of 290.33 g/mol, XLogP of 0.62, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[3-[(E)-(carbamoylhydrazinylidene)methyl]-2,4,6-trimethylphenyl]methylideneamino]urea is sourced from PubChem (CID 6894304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).