3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine

C9H13N3O — CID 106110896

IUPAC3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
SMILESCOC1CNc2cccnc2NC1
InChIInChI=1S/C9H13N3O/c1-13-7-5-11-8-3-2-4-10-9(8)12-6-7/h2-4,7,11H,5-6H2,1H3,(H,10,12)
InChIKeyQUCXEDNIUPMWLI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.93
Rot. Bonds1

About 3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine

3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine (PubChem CID 106110896) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine.

Molecular Properties

Compound Name3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
PubChem CID106110896
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
SMILESCOC1CNc2cccnc2NC1
InChIInChI=1S/C9H13N3O/c1-13-7-5-11-8-3-2-4-10-9(8)12-6-7/h2-4,7,11H,5-6H2,1H3,(H,10,12)
InChIKeyQUCXEDNIUPMWLI-UHFFFAOYSA-N
XLogP0.93
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine with MolForge

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

Launch Full Analysis

Related Compounds

3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 155943544
(1R)-1-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]ethanamine
CID 176991498
3,7-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 106110899
5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline
CID 105439383
3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70673555
3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 107475304
2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-3-ol
CID 166482608
3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89143858
2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-3-amine
CID 89200794
3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine
CID 126554571
1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 89197292
3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70842438

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine?
The IUPAC name of 3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine (CID 106110896) is 3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine.
What is the SMILES notation for 3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine?
The canonical SMILES for 3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine is COC1CNc2cccnc2NC1.
What is the InChIKey of 3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine?
The InChIKey is QUCXEDNIUPMWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-13-7-5-11-8-3-2-4-10-9(8)12-6-7/h2-4,7,11H,5-6H2,1H3,(H,10,12).
What are the key properties of 3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine?
3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine has a molecular weight of 179.22 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine is sourced from PubChem (CID 106110896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).