8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine

C18H21N5O — CID 67367016

IUPAC8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine
SMILESC1=Nc2nc(-c3cccnc3)cnc2N(CCC2CCOCC2)C1
InChIInChI=1S/C18H21N5O/c1-2-15(12-19-6-1)16-13-21-18-17(22-16)20-7-9-23(18)8-3-14-4-10-24-11-5-14/h1-2,6-7,12-14H,3-5,8-11H2
InChIKeyQQKJPWUBQVBAKU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.88
Rot. Bonds4

About 8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine

8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine (PubChem CID 67367016) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine.

Molecular Properties

Compound Name8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine
PubChem CID67367016
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine
SMILESC1=Nc2nc(-c3cccnc3)cnc2N(CCC2CCOCC2)C1
InChIInChI=1S/C18H21N5O/c1-2-15(12-19-6-1)16-13-21-18-17(22-16)20-7-9-23(18)8-3-14-4-10-24-11-5-14/h1-2,6-7,12-14H,3-5,8-11H2
InChIKeyQQKJPWUBQVBAKU-UHFFFAOYSA-N
XLogP2.88
TPSA63.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

molecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide
CID 160749132
4-(oxan-4-ylmethyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 55227206
4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide
CID 46214724
5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one
CID 114191877
2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66715890
molecular hydrogen;8-[2-(oxan-4-yl)ethyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 159876397
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453066
4-(2-cyclohexylethyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 60920970
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole
CID 18913481
5-benzyl-3-pyridin-3-yl-7,8-dihydro-6H-pyrido[2,3-b]pyrazine
CID 58523776
3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 86304077

Frequently Asked Questions

What is the IUPAC name of 8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine?
The IUPAC name of 8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine (CID 67367016) is 8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine.
What is the SMILES notation for 8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine?
The canonical SMILES for 8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine is C1=Nc2nc(-c3cccnc3)cnc2N(CCC2CCOCC2)C1.
What is the InChIKey of 8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine?
The InChIKey is QQKJPWUBQVBAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-15(12-19-6-1)16-13-21-18-17(22-16)20-7-9-23(18)8-3-14-4-10-24-11-5-14/h1-2,6-7,12-14H,3-5,8-11H2.
What are the key properties of 8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine?
8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine has a molecular weight of 323.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine is sourced from PubChem (CID 67367016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).