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

C18H15Cl2N5O — CID 118950386

IUPAC(2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@H]1Cn2c(nnc2-c2ccccn2)CN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H15Cl2N5O/c1-11-9-25-15(22-23-17(25)14-7-2-3-8-21-14)10-24(11)18(26)12-5-4-6-13(19)16(12)20/h2-8,11H,9-10H2,1H3/t11-/m0/s1
InChIKeyBWTYBBRWSXSDAS-NSHDSACASA-N
MW388.26 g/mol
LogP3.69
Rot. Bonds2

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

(2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 118950386) has the molecular formula C18H15Cl2N5O and a molecular weight of 388.26 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyridin-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-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID118950386
Molecular FormulaC18H15Cl2N5O
Molecular Weight388.26 g/mol
Exact Mass387.07
IUPAC Name(2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@H]1Cn2c(nnc2-c2ccccn2)CN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H15Cl2N5O/c1-11-9-25-15(22-23-17(25)14-7-2-3-8-21-14)10-24(11)18(26)12-5-4-6-13(19)16(12)20/h2-8,11H,9-10H2,1H3/t11-/m0/s1
InChIKeyBWTYBBRWSXSDAS-NSHDSACASA-N
XLogP3.69
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyridin-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-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 118950386) is (2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyridin-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-pyridin-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-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is C[C@H]1Cn2c(nnc2-c2ccccn2)CN1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is BWTYBBRWSXSDAS-NSHDSACASA-N. The full InChI is InChI=1S/C18H15Cl2N5O/c1-11-9-25-15(22-23-17(25)14-7-2-3-8-21-14)10-24(11)18(26)12-5-4-6-13(19)16(12)20/h2-8,11H,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 388.26 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[(6S)-6-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 118950386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).