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

C19H18N4O2 — CID 134793897

IUPAC(3-methoxyphenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCOc1cccc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c1
InChIInChI=1S/C19H18N4O2/c1-25-16-9-5-8-15(12-16)19(24)22-10-11-23-17(13-22)20-21-18(23)14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3
InChIKeyYJPLTMLIZZFXRL-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.61
Rot. Bonds3

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

(3-methoxyphenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 134793897) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (3-methoxyphenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID134793897
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(3-methoxyphenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCOc1cccc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c1
InChIInChI=1S/C19H18N4O2/c1-25-16-9-5-8-15(12-16)19(24)22-10-11-23-17(13-22)20-21-18(23)14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3
InChIKeyYJPLTMLIZZFXRL-UHFFFAOYSA-N
XLogP2.61
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-4-fluorophenyl)-[3-(3-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66599475
(2-chloro-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66599498
(4-fluoro-3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 86275212
(3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 86275448
5-Benzyl-3-(4-methoxy-phenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-one
CID 11383481
2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione
CID 2542856
Phthalazine derivative 3
CID 71678316
1-(3-Fluorobenzoyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-YL]piperidine
CID 3942434
1-(3,4-Difluorobenzoyl)-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidine
CID 53121808
2-(3-Fluorophenyl)-1-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-YL]piperidin-1-YL}ethan-1-one
CID 53121826
1-(2,5-Difluorobenzoyl)-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidine
CID 53121835
1-(3-Fluorobenzoyl)-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidine
CID 53121855

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 134793897) is (3-methoxyphenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is COc1cccc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is YJPLTMLIZZFXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-16-9-5-8-15(12-16)19(24)22-10-11-23-17(13-22)20-21-18(23)14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3.
What are the key properties of (3-methoxyphenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(3-methoxyphenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 134793897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).