sodium;1-bromo-3-carbamoylurea;hydride

C2H5BrN3NaO2 — CID 174408388

IUPACsodium;1-bromo-3-carbamoylurea;hydride
SMILESNC(=O)NC(=O)NBr.[H-].[Na+]
InChIInChI=1S/C2H4BrN3O2.Na.H/c3-6-2(8)5-1(4)7;;/h(H4,4,5,6,7,8);;/q;+1;-1
InChIKeyYLBYAQKUNZNEDS-UHFFFAOYSA-N
MW205.98 g/mol
LogP-3.21
Rot. Bonds

About sodium;1-bromo-3-carbamoylurea;hydride

sodium;1-bromo-3-carbamoylurea;hydride (PubChem CID 174408388) has the molecular formula C2H5BrN3NaO2 and a molecular weight of 205.98 g/mol. Its IUPAC name is sodium;1-bromo-3-carbamoylurea;hydride.

Molecular Properties

Compound Namesodium;1-bromo-3-carbamoylurea;hydride
PubChem CID174408388
Molecular FormulaC2H5BrN3NaO2
Molecular Weight205.98 g/mol
Exact Mass204.95
IUPAC Namesodium;1-bromo-3-carbamoylurea;hydride
SMILESNC(=O)NC(=O)NBr.[H-].[Na+]
InChIInChI=1S/C2H4BrN3O2.Na.H/c3-6-2(8)5-1(4)7;;/h(H4,4,5,6,7,8);;/q;+1;-1
InChIKeyYLBYAQKUNZNEDS-UHFFFAOYSA-N
XLogP-3.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.98
LogP ≤ 5-3.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-aminosulfanyl-3-carbamoylurea
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1-carbamoyl-3-(dihydroxyamino)urea
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carbamoylurea;copper;thiourea
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CID 118590953
CID 118590953
carbamoylcarbamic acid;carbamoylurea
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carbamoylurea;fluoroform
CID 174631914
N-carbamoylcarbamoyl chloride;carbamoyl chloride
CID 170170459
CID 174966153
CID 174966153
carbamoylcarbamic acid;formonitrile
CID 174795487

Frequently Asked Questions

What is the IUPAC name of sodium;1-bromo-3-carbamoylurea;hydride?
The IUPAC name of sodium;1-bromo-3-carbamoylurea;hydride (CID 174408388) is sodium;1-bromo-3-carbamoylurea;hydride.
What is the SMILES notation for sodium;1-bromo-3-carbamoylurea;hydride?
The canonical SMILES for sodium;1-bromo-3-carbamoylurea;hydride is NC(=O)NC(=O)NBr.[H-].[Na+].
What is the InChIKey of sodium;1-bromo-3-carbamoylurea;hydride?
The InChIKey is YLBYAQKUNZNEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4BrN3O2.Na.H/c3-6-2(8)5-1(4)7;;/h(H4,4,5,6,7,8);;/q;+1;-1.
What are the key properties of sodium;1-bromo-3-carbamoylurea;hydride?
sodium;1-bromo-3-carbamoylurea;hydride has a molecular weight of 205.98 g/mol, XLogP of -3.21, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-bromo-3-carbamoylurea;hydride is sourced from PubChem (CID 174408388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).