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

C19H17Cl2N5O2 — CID 118949563

IUPAC(2,3-dichlorophenyl)-[(6S)-3-(4-methoxy-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1ccnc(-c2nnc3n2C[C@H](C)N(C(=O)c2cccc(Cl)c2Cl)C3)c1
InChIInChI=1S/C19H17Cl2N5O2/c1-11-9-26-16(23-24-18(26)15-8-12(28-2)6-7-22-15)10-25(11)19(27)13-4-3-5-14(20)17(13)21/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1
InChIKeyMULCYNKNDJVWBS-NSHDSACASA-N
MW418.28 g/mol
LogP3.70
Rot. Bonds3

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

(2,3-dichlorophenyl)-[(6S)-3-(4-methoxy-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 118949563) has the molecular formula C19H17Cl2N5O2 and a molecular weight of 418.28 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[(6S)-3-(4-methoxy-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[(6S)-3-(4-methoxy-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID118949563
Molecular FormulaC19H17Cl2N5O2
Molecular Weight418.28 g/mol
Exact Mass417.08
IUPAC Name(2,3-dichlorophenyl)-[(6S)-3-(4-methoxy-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1ccnc(-c2nnc3n2C[C@H](C)N(C(=O)c2cccc(Cl)c2Cl)C3)c1
InChIInChI=1S/C19H17Cl2N5O2/c1-11-9-26-16(23-24-18(26)15-8-12(28-2)6-7-22-15)10-25(11)19(27)13-4-3-5-14(20)17(13)21/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1
InChIKeyMULCYNKNDJVWBS-NSHDSACASA-N
XLogP3.70
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[(6S)-3-(4-methoxy-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[(6S)-3-(4-methoxy-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 118949563) is (2,3-dichlorophenyl)-[(6S)-3-(4-methoxy-2-pyridinyl)-6-methyl-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)-3-(4-methoxy-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[(6S)-3-(4-methoxy-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is COc1ccnc(-c2nnc3n2C[C@H](C)N(C(=O)c2cccc(Cl)c2Cl)C3)c1.
What is the InChIKey of (2,3-dichlorophenyl)-[(6S)-3-(4-methoxy-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is MULCYNKNDJVWBS-NSHDSACASA-N. The full InChI is InChI=1S/C19H17Cl2N5O2/c1-11-9-26-16(23-24-18(26)15-8-12(28-2)6-7-22-15)10-25(11)19(27)13-4-3-5-14(20)17(13)21/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2,3-dichlorophenyl)-[(6S)-3-(4-methoxy-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(2,3-dichlorophenyl)-[(6S)-3-(4-methoxy-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 418.28 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[(6S)-3-(4-methoxy-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 118949563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).