(2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C16H12Cl2N6O — CID 66599198

IUPAC(2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1
InChIInChI=1S/C16H12Cl2N6O/c17-11-3-1-2-10(14(11)18)16(25)23-6-7-24-13(9-23)21-22-15(24)12-8-19-4-5-20-12/h1-5,8H,6-7,9H2
InChIKeyAXQZZNUTSSFRSV-UHFFFAOYSA-N
MW375.22 g/mol
LogP2.70
Rot. Bonds2

About (2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

(2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 66599198) has the molecular formula C16H12Cl2N6O and a molecular weight of 375.22 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID66599198
Molecular FormulaC16H12Cl2N6O
Molecular Weight375.22 g/mol
Exact Mass374.04
IUPAC Name(2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1
InChIInChI=1S/C16H12Cl2N6O/c17-11-3-1-2-10(14(11)18)16(25)23-6-7-24-13(9-23)21-22-15(24)12-8-19-4-5-20-12/h1-5,8H,6-7,9H2
InChIKeyAXQZZNUTSSFRSV-UHFFFAOYSA-N
XLogP2.70
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 66599198) is (2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1.
What is the InChIKey of (2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is AXQZZNUTSSFRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N6O/c17-11-3-1-2-10(14(11)18)16(25)23-6-7-24-13(9-23)21-22-15(24)12-8-19-4-5-20-12/h1-5,8H,6-7,9H2.
What are the key properties of (2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 375.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 66599198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).