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

C14H14Cl2N4O2 — CID 136512763

IUPAC(4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
SMILESCOc1cc(Cl)c(Cl)cc1C(=O)N1CCn2nc(C)nc2C1
InChIInChI=1S/C14H14Cl2N4O2/c1-8-17-13-7-19(3-4-20(13)18-8)14(21)9-5-10(15)11(16)6-12(9)22-2/h5-6H,3-4,7H2,1-2H3
InChIKeyPPULPCFPQABENV-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.56
Rot. Bonds2

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

(4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone (PubChem CID 136512763) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is (4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
PubChem CID136512763
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC Name(4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
SMILESCOc1cc(Cl)c(Cl)cc1C(=O)N1CCn2nc(C)nc2C1
InChIInChI=1S/C14H14Cl2N4O2/c1-8-17-13-7-19(3-4-20(13)18-8)14(21)9-5-10(15)11(16)6-12(9)22-2/h5-6H,3-4,7H2,1-2H3
InChIKeyPPULPCFPQABENV-UHFFFAOYSA-N
XLogP2.56
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The IUPAC name of (4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone (CID 136512763) is (4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The canonical SMILES for (4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone is COc1cc(Cl)c(Cl)cc1C(=O)N1CCn2nc(C)nc2C1.
What is the InChIKey of (4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The InChIKey is PPULPCFPQABENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c1-8-17-13-7-19(3-4-20(13)18-8)14(21)9-5-10(15)11(16)6-12(9)22-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of (4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
(4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone has a molecular weight of 341.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 136512763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).