1-methyl-1-nitrosourea;nitrous amide

C2H7N5O3 — CID 87568751

IUPAC1-methyl-1-nitrosourea;nitrous amide
SMILESCN(N=O)C(N)=O.NN=O
InChIInChI=1S/C2H5N3O2.H2N2O/c1-5(4-7)2(3)6;1-2-3/h1H3,(H2,3,6);(H2,1,3)
InChIKeyCXTBJFADFGNFBB-UHFFFAOYSA-N
MW149.11 g/mol
LogP-0.70
Rot. Bonds1

About 1-methyl-1-nitrosourea;nitrous amide

1-methyl-1-nitrosourea;nitrous amide (PubChem CID 87568751) has the molecular formula C2H7N5O3 and a molecular weight of 149.11 g/mol. Its IUPAC name is 1-methyl-1-nitrosourea;nitrous amide.

Molecular Properties

Compound Name1-methyl-1-nitrosourea;nitrous amide
PubChem CID87568751
Molecular FormulaC2H7N5O3
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name1-methyl-1-nitrosourea;nitrous amide
SMILESCN(N=O)C(N)=O.NN=O
InChIInChI=1S/C2H5N3O2.H2N2O/c1-5(4-7)2(3)6;1-2-3/h1H3,(H2,3,6);(H2,1,3)
InChIKeyCXTBJFADFGNFBB-UHFFFAOYSA-N
XLogP-0.70
TPSA131.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-1-nitrosourea;nitrous amide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-nitrosourea;nitrous amide?
The IUPAC name of 1-methyl-1-nitrosourea;nitrous amide (CID 87568751) is 1-methyl-1-nitrosourea;nitrous amide.
What is the SMILES notation for 1-methyl-1-nitrosourea;nitrous amide?
The canonical SMILES for 1-methyl-1-nitrosourea;nitrous amide is CN(N=O)C(N)=O.NN=O.
What is the InChIKey of 1-methyl-1-nitrosourea;nitrous amide?
The InChIKey is CXTBJFADFGNFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O2.H2N2O/c1-5(4-7)2(3)6;1-2-3/h1H3,(H2,3,6);(H2,1,3).
What are the key properties of 1-methyl-1-nitrosourea;nitrous amide?
1-methyl-1-nitrosourea;nitrous amide has a molecular weight of 149.11 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-nitrosourea;nitrous amide is sourced from PubChem (CID 87568751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).