[2-(carbamoylhydrazinylidene)propylamino]urea

C5H12N6O2 — CID 123320381

IUPAC[2-(carbamoylhydrazinylidene)propylamino]urea
SMILESCC(CNNC(N)=O)=NNC(N)=O
InChIInChI=1S/C5H12N6O2/c1-3(9-11-5(7)13)2-8-10-4(6)12/h8H,2H2,1H3,(H3,6,10,12)(H3,7,11,13)
InChIKeySHDCOHABLJNIQM-UHFFFAOYSA-N
MW188.19 g/mol
LogP-1.80
Rot. Bonds4

About [2-(carbamoylhydrazinylidene)propylamino]urea

[2-(carbamoylhydrazinylidene)propylamino]urea (PubChem CID 123320381) has the molecular formula C5H12N6O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is [2-(carbamoylhydrazinylidene)propylamino]urea.

Molecular Properties

Compound Name[2-(carbamoylhydrazinylidene)propylamino]urea
PubChem CID123320381
Molecular FormulaC5H12N6O2
Molecular Weight188.19 g/mol
Exact Mass188.10
IUPAC Name[2-(carbamoylhydrazinylidene)propylamino]urea
SMILESCC(CNNC(N)=O)=NNC(N)=O
InChIInChI=1S/C5H12N6O2/c1-3(9-11-5(7)13)2-8-10-4(6)12/h8H,2H2,1H3,(H3,6,10,12)(H3,7,11,13)
InChIKeySHDCOHABLJNIQM-UHFFFAOYSA-N
XLogP-1.80
TPSA134.63 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-1.80
H-Bond Donors ≤ 55
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)propylamino]urea?
The IUPAC name of [2-(carbamoylhydrazinylidene)propylamino]urea (CID 123320381) is [2-(carbamoylhydrazinylidene)propylamino]urea.
What is the SMILES notation for [2-(carbamoylhydrazinylidene)propylamino]urea?
The canonical SMILES for [2-(carbamoylhydrazinylidene)propylamino]urea is CC(CNNC(N)=O)=NNC(N)=O.
What is the InChIKey of [2-(carbamoylhydrazinylidene)propylamino]urea?
The InChIKey is SHDCOHABLJNIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N6O2/c1-3(9-11-5(7)13)2-8-10-4(6)12/h8H,2H2,1H3,(H3,6,10,12)(H3,7,11,13).
What are the key properties of [2-(carbamoylhydrazinylidene)propylamino]urea?
[2-(carbamoylhydrazinylidene)propylamino]urea has a molecular weight of 188.19 g/mol, XLogP of -1.80, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylhydrazinylidene)propylamino]urea is sourced from PubChem (CID 123320381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).