[[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea

C10H16N6O2 — CID 154361061

IUPAC[[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea
SMILESNC(=O)NNCc1cccc(CNNC(N)=O)c1
InChIInChI=1S/C10H16N6O2/c11-9(17)15-13-5-7-2-1-3-8(4-7)6-14-16-10(12)18/h1-4,13-14H,5-6H2,(H3,11,15,17)(H3,12,16,18)
InChIKeyNDUWVCUNLBDMCG-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.97
Rot. Bonds6

About [[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea

[[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea (PubChem CID 154361061) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is [[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea.

Molecular Properties

Compound Name[[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea
PubChem CID154361061
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name[[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea
SMILESNC(=O)NNCc1cccc(CNNC(N)=O)c1
InChIInChI=1S/C10H16N6O2/c11-9(17)15-13-5-7-2-1-3-8(4-7)6-14-16-10(12)18/h1-4,13-14H,5-6H2,(H3,11,15,17)(H3,12,16,18)
InChIKeyNDUWVCUNLBDMCG-UHFFFAOYSA-N
XLogP-0.97
TPSA134.30 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea?
The IUPAC name of [[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea (CID 154361061) is [[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea.
What is the SMILES notation for [[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea?
The canonical SMILES for [[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea is NC(=O)NNCc1cccc(CNNC(N)=O)c1.
What is the InChIKey of [[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea?
The InChIKey is NDUWVCUNLBDMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c11-9(17)15-13-5-7-2-1-3-8(4-7)6-14-16-10(12)18/h1-4,13-14H,5-6H2,(H3,11,15,17)(H3,12,16,18).
What are the key properties of [[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea?
[[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea has a molecular weight of 252.28 g/mol, XLogP of -0.97, 6 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[(2-carbamoylhydrazinyl)methyl]phenyl]methylamino]urea is sourced from PubChem (CID 154361061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).