2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine

C6H7N5O2 — CID 20940

IUPAC2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(C=[N+]=[N-])nc(OC)n1
InChIInChI=1S/C6H7N5O2/c1-12-5-9-4(3-8-7)10-6(11-5)13-2/h3H,1-2H3
InChIKeyVHQXBERVHYVING-UHFFFAOYSA-N
MW181.16 g/mol
LogP-0.46
Rot. Bonds3

About 2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine

2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine (PubChem CID 20940) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine
PubChem CID20940
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(C=[N+]=[N-])nc(OC)n1
InChIInChI=1S/C6H7N5O2/c1-12-5-9-4(3-8-7)10-6(11-5)13-2/h3H,1-2H3
InChIKeyVHQXBERVHYVING-UHFFFAOYSA-N
XLogP-0.46
TPSA93.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Triazine, 2,4-dimethoxy-6-methyl-
CID 19904
2-Isocyanato-4-methoxy-6-methyl-1,3,5-triazine
CID 15061410
2-Isocyano-4-methoxy-6-methyl-1,3,5-triazine
CID 20644261
2-[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)imino]acetaldehyde
CID 59567177
N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide
CID 68649442
2-Azido-4-methoxy-6-methyl-1,3,5-triazine
CID 152130266
6-(Diazomethyl)-1,3,5-triazine-2,4-diamine
CID 34938
2-Chloro-4-(diazomethyl)-6-methyl-1,3,5-triazine
CID 35660
2,4-Diazido-6-(diazomethyl)-1,3,5-triazine
CID 101431012
2-Chloro-4-(diazomethyl)-6-methoxy-1,3,5-triazine
CID 119091718

Frequently Asked Questions

What is the IUPAC name of 2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine (CID 20940) is 2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine is COc1nc(C=[N+]=[N-])nc(OC)n1.
What is the InChIKey of 2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is VHQXBERVHYVING-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c1-12-5-9-4(3-8-7)10-6(11-5)13-2/h3H,1-2H3.
What are the key properties of 2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine?
2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 181.16 g/mol, XLogP of -0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diazomethyl)-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 20940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).