(2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene

C11H10N4 — CID 175783507

IUPAC(2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
SMILESc1cnc(-n2ncc3c2[C@@H]2C[C@@H]2C3)cn1
InChIInChI=1S/C11H10N4/c1-2-13-10(6-12-1)15-11-8(5-14-15)3-7-4-9(7)11/h1-2,5-7,9H,3-4H2/t7-,9+/m0/s1
InChIKeyJBBZSYQWVZJDJR-IONNQARKSA-N
MW198.23 g/mol
LogP1.32
Rot. Bonds1

About (2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene

(2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene (PubChem CID 175783507) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is (2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene.

Molecular Properties

Compound Name(2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
PubChem CID175783507
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name(2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
SMILESc1cnc(-n2ncc3c2[C@@H]2C[C@@H]2C3)cn1
InChIInChI=1S/C11H10N4/c1-2-13-10(6-12-1)15-11-8(5-14-15)3-7-4-9(7)11/h1-2,5-7,9H,3-4H2/t7-,9+/m0/s1
InChIKeyJBBZSYQWVZJDJR-IONNQARKSA-N
XLogP1.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
The IUPAC name of (2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene (CID 175783507) is (2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene.
What is the SMILES notation for (2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
The canonical SMILES for (2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene is c1cnc(-n2ncc3c2[C@@H]2C[C@@H]2C3)cn1.
What is the InChIKey of (2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
The InChIKey is JBBZSYQWVZJDJR-IONNQARKSA-N. The full InChI is InChI=1S/C11H10N4/c1-2-13-10(6-12-1)15-11-8(5-14-15)3-7-4-9(7)11/h1-2,5-7,9H,3-4H2/t7-,9+/m0/s1.
What are the key properties of (2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
(2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene has a molecular weight of 198.23 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene is sourced from PubChem (CID 175783507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).