3-diazo-1-methyl-1-nitrosourea

C2H3N5O2 — CID 14478162

IUPAC3-diazo-1-methyl-1-nitrosourea
SMILESCN(N=O)C(=O)N=[N+]=[N-]
InChIInChI=1S/C2H3N5O2/c1-7(6-9)2(8)4-5-3/h1H3
InChIKeyPDWLZFXMIRTYHF-UHFFFAOYSA-N
MW129.08 g/mol
LogP1.03
Rot. Bonds1

About 3-diazo-1-methyl-1-nitrosourea

3-diazo-1-methyl-1-nitrosourea (PubChem CID 14478162) has the molecular formula C2H3N5O2 and a molecular weight of 129.08 g/mol. Its IUPAC name is 3-diazo-1-methyl-1-nitrosourea.

Molecular Properties

Compound Name3-diazo-1-methyl-1-nitrosourea
PubChem CID14478162
Molecular FormulaC2H3N5O2
Molecular Weight129.08 g/mol
Exact Mass129.03
IUPAC Name3-diazo-1-methyl-1-nitrosourea
SMILESCN(N=O)C(=O)N=[N+]=[N-]
InChIInChI=1S/C2H3N5O2/c1-7(6-9)2(8)4-5-3/h1H3
InChIKeyPDWLZFXMIRTYHF-UHFFFAOYSA-N
XLogP1.03
TPSA98.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.08
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-diazo-1-(2-fluoroethyl)-1-nitrosourea
CID 23336278
(E)-but-2-enoyl azide
CID 23443326
1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea
CID 19701
1-methyl-1-nitrosourea;nitrous amide
CID 87568751
N-diazocarbamoyl fluoride
CID 71358879
2-[azidomethyl(methyl)amino]acetic acid
CID 90268754
3-diazo-1-phenyl-1-thiophen-2-ylurea
CID 151516655
2-ethylpropanedioyl diazide
CID 86655983
4-(4-carbonazidoylphenyl)benzoyl azide
CID 101036064
(2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide
CID 71408030
4-ethylbenzoyl azide
CID 43307154
N-methyl-N-[methyl(nitroso)carbamoyl]benzamide
CID 86035240

Frequently Asked Questions

What is the IUPAC name of 3-diazo-1-methyl-1-nitrosourea?
The IUPAC name of 3-diazo-1-methyl-1-nitrosourea (CID 14478162) is 3-diazo-1-methyl-1-nitrosourea.
What is the SMILES notation for 3-diazo-1-methyl-1-nitrosourea?
The canonical SMILES for 3-diazo-1-methyl-1-nitrosourea is CN(N=O)C(=O)N=[N+]=[N-].
What is the InChIKey of 3-diazo-1-methyl-1-nitrosourea?
The InChIKey is PDWLZFXMIRTYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N5O2/c1-7(6-9)2(8)4-5-3/h1H3.
What are the key properties of 3-diazo-1-methyl-1-nitrosourea?
3-diazo-1-methyl-1-nitrosourea has a molecular weight of 129.08 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-1-methyl-1-nitrosourea is sourced from PubChem (CID 14478162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).