[azido-(N'-nitrocarbamimidoyl)amino]urea

C2H5N9O3 — CID 154101531

IUPAC[azido-(N'-nitrocarbamimidoyl)amino]urea
SMILES[N-]=[N+]=NN(NC(N)=O)C(N)=N[N+](=O)[O-]
InChIInChI=1S/C2H5N9O3/c3-1(6-11(13)14)10(9-8-5)7-2(4)12/h(H2,3,6)(H3,4,7,12)
InChIKeyIOOWQOSWLBITHB-UHFFFAOYSA-N
MW203.12 g/mol
LogP-1.40
Rot. Bonds2

About [azido-(N'-nitrocarbamimidoyl)amino]urea

[azido-(N'-nitrocarbamimidoyl)amino]urea (PubChem CID 154101531) has the molecular formula C2H5N9O3 and a molecular weight of 203.12 g/mol. Its IUPAC name is [azido-(N'-nitrocarbamimidoyl)amino]urea.

Molecular Properties

Compound Name[azido-(N'-nitrocarbamimidoyl)amino]urea
PubChem CID154101531
Molecular FormulaC2H5N9O3
Molecular Weight203.12 g/mol
Exact Mass203.05
IUPAC Name[azido-(N'-nitrocarbamimidoyl)amino]urea
SMILES[N-]=[N+]=NN(NC(N)=O)C(N)=N[N+](=O)[O-]
InChIInChI=1S/C2H5N9O3/c3-1(6-11(13)14)10(9-8-5)7-2(4)12/h(H2,3,6)(H3,4,7,12)
InChIKeyIOOWQOSWLBITHB-UHFFFAOYSA-N
XLogP-1.40
TPSA188.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Hydrazinecarboxamide, 2-[imino(nitroamino)methyl]-
CID 15091285
1-(Diaminomethylideneamino)-3-nitrourea
CID 21122329
2-Nitro-1-ureidoguanidine
CID 137231919
[[(E)-N'-nitrocarbamimidoyl]amino]urea
CID 139046342
1,3-bis[[(E)-N'-nitrocarbamimidoyl]amino]urea
CID 139262770
1,3-Diaminourea;1-nitroguanidine
CID 135793883
1,3-bis[(N'-nitrocarbamimidoyl)amino]urea
CID 16132524
1-[[(Z)-N'-nitrocarbamimidoyl]amino]-3-[[(E)-N'-nitrocarbamimidoyl]amino]urea
CID 17389492
Hydrazinecarboxamide, 2-[imino (nitroamino)methyl]-
CID 72744821

Frequently Asked Questions

What is the IUPAC name of [azido-(N'-nitrocarbamimidoyl)amino]urea?
The IUPAC name of [azido-(N'-nitrocarbamimidoyl)amino]urea (CID 154101531) is [azido-(N'-nitrocarbamimidoyl)amino]urea.
What is the SMILES notation for [azido-(N'-nitrocarbamimidoyl)amino]urea?
The canonical SMILES for [azido-(N'-nitrocarbamimidoyl)amino]urea is [N-]=[N+]=NN(NC(N)=O)C(N)=N[N+](=O)[O-].
What is the InChIKey of [azido-(N'-nitrocarbamimidoyl)amino]urea?
The InChIKey is IOOWQOSWLBITHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N9O3/c3-1(6-11(13)14)10(9-8-5)7-2(4)12/h(H2,3,6)(H3,4,7,12).
What are the key properties of [azido-(N'-nitrocarbamimidoyl)amino]urea?
[azido-(N'-nitrocarbamimidoyl)amino]urea has a molecular weight of 203.12 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [azido-(N'-nitrocarbamimidoyl)amino]urea is sourced from PubChem (CID 154101531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).