3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine

C11H14N2 — CID 123184632

IUPAC3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine
SMILESCC1=CC=CN2N=CC(C)CC=C12
InChIInChI=1S/C11H14N2/c1-9-5-6-11-10(2)4-3-7-13(11)12-8-9/h3-4,6-9H,5H2,1-2H3
InChIKeyXQHUQVAEOYMBJY-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.67
Rot. Bonds

About 3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine

3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine (PubChem CID 123184632) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine.

Molecular Properties

Compound Name3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine
PubChem CID123184632
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine
SMILESCC1=CC=CN2N=CC(C)CC=C12
InChIInChI=1S/C11H14N2/c1-9-5-6-11-10(2)4-3-7-13(11)12-8-9/h3-4,6-9H,5H2,1-2H3
InChIKeyXQHUQVAEOYMBJY-UHFFFAOYSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 59284052
7-Methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 59284144
1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine
CID 59514039
1,6-Dimethyl-5,6-dihydroindazole
CID 68021264
5,6-Diazatricyclo[8.4.0.01,5]tetradeca-3,6,9,11,13-pentaene
CID 68142731
(6S)-1,6-dimethyl-5,6-dihydroindazole
CID 89510252
1,6-Dimethyl-3a,7a-dihydroindazole
CID 89669477
3-Methyl-3,4-dihydropyrido[1,2-b]diazepine
CID 117711234
8-Bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine
CID 118448156
3-methyl-3H-pyrido[1,2-b]pyridazine
CID 123373938
2-Bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123488140
1-(5-Methylhept-3-en-3-yl)-6-methylidenepyridazine
CID 123569581

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine?
The IUPAC name of 3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine (CID 123184632) is 3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine.
What is the SMILES notation for 3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine?
The canonical SMILES for 3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine is CC1=CC=CN2N=CC(C)CC=C12.
What is the InChIKey of 3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine?
The InChIKey is XQHUQVAEOYMBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-5-6-11-10(2)4-3-7-13(11)12-8-9/h3-4,6-9H,5H2,1-2H3.
What are the key properties of 3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine?
3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine has a molecular weight of 174.25 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3,4-dihydropyrido[1,2-b]diazepine is sourced from PubChem (CID 123184632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).