1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine

C12H17N3O — CID 162753971

IUPAC1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine
SMILESCN1CCNc2cnc(C3CCOC3)cc21
InChIInChI=1S/C12H17N3O/c1-15-4-3-13-11-7-14-10(6-12(11)15)9-2-5-16-8-9/h6-7,9,13H,2-5,8H2,1H3
InChIKeyXDGKPUPNXYCYHC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.45
Rot. Bonds1

About 1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine

1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine (PubChem CID 162753971) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine
PubChem CID162753971
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine
SMILESCN1CCNc2cnc(C3CCOC3)cc21
InChIInChI=1S/C12H17N3O/c1-15-4-3-13-11-7-14-10(6-12(11)15)9-2-5-16-8-9/h6-7,9,13H,2-5,8H2,1H3
InChIKeyXDGKPUPNXYCYHC-UHFFFAOYSA-N
XLogP1.45
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine 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

2-(Oxan-4-yl)pyridin-4-amine
CID 58962705
6-(Oxan-4-yl)pyridin-3-amine
CID 86692451
8-(2-Methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
CID 134811125
3-(5-Fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane
CID 135237387
5-[5-[(3R)-3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methylpyridin-3-amine
CID 153697555
1-[5-Fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine
CID 171092428
5-Fluoro-6-(oxan-3-yl)pyridine-3,4-diamine
CID 176352959
5-Fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine
CID 177019634
N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine
CID 79712510
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79712531
N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 79712706
N-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 79712789

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine?
The IUPAC name of 1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine (CID 162753971) is 1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine.
What is the SMILES notation for 1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine?
The canonical SMILES for 1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine is CN1CCNc2cnc(C3CCOC3)cc21.
What is the InChIKey of 1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine?
The InChIKey is XDGKPUPNXYCYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15-4-3-13-11-7-14-10(6-12(11)15)9-2-5-16-8-9/h6-7,9,13H,2-5,8H2,1H3.
What are the key properties of 1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine?
1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine has a molecular weight of 219.29 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine is sourced from PubChem (CID 162753971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).