3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene

C14H10N4 — CID 58078618

IUPAC3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
SMILESC1=Cc2c(ncc3ccn(-c4cnccn4)c23)C1
InChIInChI=1S/C14H10N4/c1-2-11-12(3-1)17-8-10-4-7-18(14(10)11)13-9-15-5-6-16-13/h1-2,4-9H,3H2
InChIKeyBKGVVDIOVBHUOU-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.38
Rot. Bonds1

About 3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene

3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene (PubChem CID 58078618) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene.

Molecular Properties

Compound Name3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
PubChem CID58078618
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
SMILESC1=Cc2c(ncc3ccn(-c4cnccn4)c23)C1
InChIInChI=1S/C14H10N4/c1-2-11-12(3-1)17-8-10-4-7-18(14(10)11)13-9-15-5-6-16-13/h1-2,4-9H,3H2
InChIKeyBKGVVDIOVBHUOU-UHFFFAOYSA-N
XLogP2.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The IUPAC name of 3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene (CID 58078618) is 3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene.
What is the SMILES notation for 3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The canonical SMILES for 3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene is C1=Cc2c(ncc3ccn(-c4cnccn4)c23)C1.
What is the InChIKey of 3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The InChIKey is BKGVVDIOVBHUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-2-11-12(3-1)17-8-10-4-7-18(14(10)11)13-9-15-5-6-16-13/h1-2,4-9H,3H2.
What are the key properties of 3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene has a molecular weight of 234.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene is sourced from PubChem (CID 58078618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).