2,2-dimethylpyridazino[4,5-b]azepine

C10H11N3 — CID 143260108

IUPAC2,2-dimethylpyridazino[4,5-b]azepine
SMILESCC1(C)C=CC=c2cnncc2=N1
InChIInChI=1S/C10H11N3/c1-10(2)5-3-4-8-6-11-12-7-9(8)13-10/h3-7H,1-2H3
InChIKeyUZMDQPMWCWSMLS-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.23
Rot. Bonds

About 2,2-dimethylpyridazino[4,5-b]azepine

2,2-dimethylpyridazino[4,5-b]azepine (PubChem CID 143260108) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2,2-dimethylpyridazino[4,5-b]azepine.

Molecular Properties

Compound Name2,2-dimethylpyridazino[4,5-b]azepine
PubChem CID143260108
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2,2-dimethylpyridazino[4,5-b]azepine
SMILESCC1(C)C=CC=c2cnncc2=N1
InChIInChI=1S/C10H11N3/c1-10(2)5-3-4-8-6-11-12-7-9(8)13-10/h3-7H,1-2H3
InChIKeyUZMDQPMWCWSMLS-UHFFFAOYSA-N
XLogP0.23
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2H-1,4-Benzodiazepine
CID 21162934
Methyldiazepinoindole
CID 129801400
2H-cyclohepta[b]pyridine
CID 57139043
2,2,3-Trimethylazepine
CID 67621169
2,2-Dimethylazepine
CID 67754093
6-ethyl-2H-azepine
CID 68405224
2H-1,3-Benzodiazepine
CID 71346896
2H-benzazepine
CID 86610186
5,6-dimethyl-2H-azepine
CID 88993608
2,2-Dimethyl-3-benzazepine
CID 90739197
3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine
CID 90957874
2,2-Dimethyl-1,4-benzodiazepine
CID 91277727

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpyridazino[4,5-b]azepine?
The IUPAC name of 2,2-dimethylpyridazino[4,5-b]azepine (CID 143260108) is 2,2-dimethylpyridazino[4,5-b]azepine.
What is the SMILES notation for 2,2-dimethylpyridazino[4,5-b]azepine?
The canonical SMILES for 2,2-dimethylpyridazino[4,5-b]azepine is CC1(C)C=CC=c2cnncc2=N1.
What is the InChIKey of 2,2-dimethylpyridazino[4,5-b]azepine?
The InChIKey is UZMDQPMWCWSMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-10(2)5-3-4-8-6-11-12-7-9(8)13-10/h3-7H,1-2H3.
What are the key properties of 2,2-dimethylpyridazino[4,5-b]azepine?
2,2-dimethylpyridazino[4,5-b]azepine has a molecular weight of 173.22 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpyridazino[4,5-b]azepine is sourced from PubChem (CID 143260108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).