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

C17H14Cl2N6O — CID 118950157

IUPAC(2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@H]1Cn2c(nnc2-c2cnccn2)CN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl2N6O/c1-10-8-25-14(22-23-16(25)13-7-20-5-6-21-13)9-24(10)17(26)11-3-2-4-12(18)15(11)19/h2-7,10H,8-9H2,1H3/t10-/m0/s1
InChIKeyRSIPEUHWMRBWAI-JTQLQIEISA-N
MW389.25 g/mol
LogP3.09
Rot. Bonds2

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

(2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 118950157) has the molecular formula C17H14Cl2N6O and a molecular weight of 389.25 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[(6S)-6-methyl-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)-[(6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID118950157
Molecular FormulaC17H14Cl2N6O
Molecular Weight389.25 g/mol
Exact Mass388.06
IUPAC Name(2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@H]1Cn2c(nnc2-c2cnccn2)CN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl2N6O/c1-10-8-25-14(22-23-16(25)13-7-20-5-6-21-13)9-24(10)17(26)11-3-2-4-12(18)15(11)19/h2-7,10H,8-9H2,1H3/t10-/m0/s1
InChIKeyRSIPEUHWMRBWAI-JTQLQIEISA-N
XLogP3.09
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[(6S)-6-methyl-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)-[(6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 118950157) is (2,3-dichlorophenyl)-[(6S)-6-methyl-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)-[(6S)-6-methyl-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)-[(6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is C[C@H]1Cn2c(nnc2-c2cnccn2)CN1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is RSIPEUHWMRBWAI-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14Cl2N6O/c1-10-8-25-14(22-23-16(25)13-7-20-5-6-21-13)9-24(10)17(26)11-3-2-4-12(18)15(11)19/h2-7,10H,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 389.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 118950157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).