7-pyrazin-2-yl-1,4-dioxonan-7-amine

C11H17N3O2 — CID 134570495

IUPAC7-pyrazin-2-yl-1,4-dioxonan-7-amine
SMILESNC1(c2cnccn2)CCOCCOCC1
InChIInChI=1S/C11H17N3O2/c12-11(10-9-13-3-4-14-10)1-5-15-7-8-16-6-2-11/h3-4,9H,1-2,5-8,12H2
InChIKeySFMCEOMUPJNJJJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.46
Rot. Bonds1

About 7-pyrazin-2-yl-1,4-dioxonan-7-amine

7-pyrazin-2-yl-1,4-dioxonan-7-amine (PubChem CID 134570495) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 7-pyrazin-2-yl-1,4-dioxonan-7-amine.

Molecular Properties

Compound Name7-pyrazin-2-yl-1,4-dioxonan-7-amine
PubChem CID134570495
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name7-pyrazin-2-yl-1,4-dioxonan-7-amine
SMILESNC1(c2cnccn2)CCOCCOCC1
InChIInChI=1S/C11H17N3O2/c12-11(10-9-13-3-4-14-10)1-5-15-7-8-16-6-2-11/h3-4,9H,1-2,5-8,12H2
InChIKeySFMCEOMUPJNJJJ-UHFFFAOYSA-N
XLogP0.46
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-Pyrazin-2-yl-1,4-dioxonane-7-carboxamide
CID 134570496
7-Pyrazin-2-yl-1,4-dioxonane-7-carbonitrile
CID 134570497
[5-(Oxan-4-yl)pyrazin-2-yl]methanamine
CID 163242784
N-methyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine
CID 55094978
N-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine
CID 55095073
3-(Propylamino)-3-pyrazin-2-ylbutan-1-ol
CID 65235148
3-Amino-3-pyrazin-2-ylbutan-1-ol
CID 65239628
3-(Ethylamino)-3-pyrazin-2-ylbutan-1-ol
CID 65239954
N-methyl-3-propoxy-1-pyrazin-2-ylpropan-1-amine
CID 105149932
N-ethyl-3-propoxy-1-pyrazin-2-ylpropan-1-amine
CID 105149971
3-Propoxy-1-pyrazin-2-ylpropan-1-amine
CID 105149984
3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 113236356

Frequently Asked Questions

What is the IUPAC name of 7-pyrazin-2-yl-1,4-dioxonan-7-amine?
The IUPAC name of 7-pyrazin-2-yl-1,4-dioxonan-7-amine (CID 134570495) is 7-pyrazin-2-yl-1,4-dioxonan-7-amine.
What is the SMILES notation for 7-pyrazin-2-yl-1,4-dioxonan-7-amine?
The canonical SMILES for 7-pyrazin-2-yl-1,4-dioxonan-7-amine is NC1(c2cnccn2)CCOCCOCC1.
What is the InChIKey of 7-pyrazin-2-yl-1,4-dioxonan-7-amine?
The InChIKey is SFMCEOMUPJNJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-11(10-9-13-3-4-14-10)1-5-15-7-8-16-6-2-11/h3-4,9H,1-2,5-8,12H2.
What are the key properties of 7-pyrazin-2-yl-1,4-dioxonan-7-amine?
7-pyrazin-2-yl-1,4-dioxonan-7-amine has a molecular weight of 223.28 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrazin-2-yl-1,4-dioxonan-7-amine is sourced from PubChem (CID 134570495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).