(2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile

C8H10N4O2 — CID 71408324

IUPAC(2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile
SMILESCO[C@@H]1NC(C#N)=C(C#N)N[C@H]1OC
InChIInChI=1S/C8H10N4O2/c1-13-7-8(14-2)12-6(4-10)5(3-9)11-7/h7-8,11-12H,1-2H3/t7-,8-/m0/s1
InChIKeyONCRMAFGISNNON-YUMQZZPRSA-N
MW194.19 g/mol
LogP-0.62
Rot. Bonds2

About (2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile

(2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile (PubChem CID 71408324) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile
PubChem CID71408324
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name(2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile
SMILESCO[C@@H]1NC(C#N)=C(C#N)N[C@H]1OC
InChIInChI=1S/C8H10N4O2/c1-13-7-8(14-2)12-6(4-10)5(3-9)11-7/h7-8,11-12H,1-2H3/t7-,8-/m0/s1
InChIKeyONCRMAFGISNNON-YUMQZZPRSA-N
XLogP-0.62
TPSA90.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile?
The IUPAC name of (2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile (CID 71408324) is (2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile.
What is the SMILES notation for (2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile?
The canonical SMILES for (2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile is CO[C@@H]1NC(C#N)=C(C#N)N[C@H]1OC.
What is the InChIKey of (2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile?
The InChIKey is ONCRMAFGISNNON-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-13-7-8(14-2)12-6(4-10)5(3-9)11-7/h7-8,11-12H,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile?
(2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile has a molecular weight of 194.19 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile is sourced from PubChem (CID 71408324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).