1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea

C3H6N6O4 — CID 90877601

IUPAC1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea
SMILESNC(=O)N(CN=O)N(N=O)C(N)=O
InChIInChI=1S/C3H6N6O4/c4-2(10)8(1-6-12)9(7-13)3(5)11/h1H2,(H2,4,10)(H2,5,11)
InChIKeyLQQBOPXQZBTEPU-UHFFFAOYSA-N
MW190.12 g/mol
LogP-0.93
Rot. Bonds3

About 1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea

1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea (PubChem CID 90877601) has the molecular formula C3H6N6O4 and a molecular weight of 190.12 g/mol. Its IUPAC name is 1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea.

Molecular Properties

Compound Name1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea
PubChem CID90877601
Molecular FormulaC3H6N6O4
Molecular Weight190.12 g/mol
Exact Mass190.05
IUPAC Name1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea
SMILESNC(=O)N(CN=O)N(N=O)C(N)=O
InChIInChI=1S/C3H6N6O4/c4-2(10)8(1-6-12)9(7-13)3(5)11/h1H2,(H2,4,10)(H2,5,11)
InChIKeyLQQBOPXQZBTEPU-UHFFFAOYSA-N
XLogP-0.93
TPSA151.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', '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 1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea?
The IUPAC name of 1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea (CID 90877601) is 1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea.
What is the SMILES notation for 1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea?
The canonical SMILES for 1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea is NC(=O)N(CN=O)N(N=O)C(N)=O.
What is the InChIKey of 1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea?
The InChIKey is LQQBOPXQZBTEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6O4/c4-2(10)8(1-6-12)9(7-13)3(5)11/h1H2,(H2,4,10)(H2,5,11).
What are the key properties of 1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea?
1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea has a molecular weight of 190.12 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[carbamoyl(nitroso)amino]-1-(nitrosomethyl)urea is sourced from PubChem (CID 90877601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).