1-diazo-N-methylmethanamine

C2H5N3 — CID 150786178

IUPAC1-diazo-N-methylmethanamine
SMILESCNC=[N+]=[N-]
InChIInChI=1S/C2H5N3/c1-4-2-5-3/h2,4H,1H3
InChIKeyKCWYQADDDHDRGQ-UHFFFAOYSA-N
MW71.08 g/mol
LogP-0.54
Rot. Bonds1

About 1-diazo-N-methylmethanamine

1-diazo-N-methylmethanamine (PubChem CID 150786178) has the molecular formula C2H5N3 and a molecular weight of 71.08 g/mol. Its IUPAC name is 1-diazo-N-methylmethanamine.

Molecular Properties

Compound Name1-diazo-N-methylmethanamine
PubChem CID150786178
Molecular FormulaC2H5N3
Molecular Weight71.08 g/mol
Exact Mass71.05
IUPAC Name1-diazo-N-methylmethanamine
SMILESCNC=[N+]=[N-]
InChIInChI=1S/C2H5N3/c1-4-2-5-3/h2,4H,1H3
InChIKeyKCWYQADDDHDRGQ-UHFFFAOYSA-N
XLogP-0.54
TPSA48.43 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.08
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-methyl-4H-1,2,4-triazol-4-ium
CID 172868165
2,4-Diaza-1-azoniacyclopenta-1,5-diene
CID 17908359
1-diazo-N'-methylmethanediamine
CID 54173319
N'-diazenyl-N-methylmethanimidamide
CID 136143486
N-methyl-1-tritiomethanimidamide
CID 136173987
N'-diazenyl-N-methylmethanimidamide
CID 136611206
N'-(2-iminohydrazinyl)-N-methylmethanimidamide
CID 136614544
2-Azido-1-methylguanidine
CID 173398023

Frequently Asked Questions

What is the IUPAC name of 1-diazo-N-methylmethanamine?
The IUPAC name of 1-diazo-N-methylmethanamine (CID 150786178) is 1-diazo-N-methylmethanamine.
What is the SMILES notation for 1-diazo-N-methylmethanamine?
The canonical SMILES for 1-diazo-N-methylmethanamine is CNC=[N+]=[N-].
What is the InChIKey of 1-diazo-N-methylmethanamine?
The InChIKey is KCWYQADDDHDRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3/c1-4-2-5-3/h2,4H,1H3.
What are the key properties of 1-diazo-N-methylmethanamine?
1-diazo-N-methylmethanamine has a molecular weight of 71.08 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazo-N-methylmethanamine is sourced from PubChem (CID 150786178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).