[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea

C10H12N6O2 — CID 91157967

IUPAC[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccccc1C=NNC(N)=O
InChIInChI=1S/C10H12N6O2/c11-9(17)15-13-5-7-3-1-2-4-8(7)6-14-16-10(12)18/h1-6H,(H3,11,15,17)(H3,12,16,18)
InChIKeyRWVDBYVWUCHDCT-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.31
Rot. Bonds4

About [[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea

[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea (PubChem CID 91157967) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is [[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
PubChem CID91157967
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccccc1C=NNC(N)=O
InChIInChI=1S/C10H12N6O2/c11-9(17)15-13-5-7-3-1-2-4-8(7)6-14-16-10(12)18/h1-6H,(H3,11,15,17)(H3,12,16,18)
InChIKeyRWVDBYVWUCHDCT-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
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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Related Compounds

[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
[(E)-benzylideneamino]urea
CID 6861419
[(E)-(2,3-difluorophenyl)methylideneamino]urea
CID 10012988
[(E)-(2-amino-3-pyridinyl)methylideneamino]urea
CID 122358737
[[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea
CID 168532484
(1-benzofuran-3-ylmethylideneamino)urea
CID 165348441
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea
CID 168532584
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
[(3-bromo-2-cyanophenyl)methylideneamino]urea
CID 168533408

Frequently Asked Questions

What is the IUPAC name of [[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea?
The IUPAC name of [[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea (CID 91157967) is [[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea.
What is the SMILES notation for [[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea?
The canonical SMILES for [[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea is NC(=O)NN=Cc1ccccc1C=NNC(N)=O.
What is the InChIKey of [[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea?
The InChIKey is RWVDBYVWUCHDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c11-9(17)15-13-5-7-3-1-2-4-8(7)6-14-16-10(12)18/h1-6H,(H3,11,15,17)(H3,12,16,18).
What are the key properties of [[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea?
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea has a molecular weight of 248.25 g/mol, XLogP of -0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea is sourced from PubChem (CID 91157967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).