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

C20H21N5O — CID 71989166

IUPAC[3-(dimethylamino)phenyl]-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c1
InChIInChI=1S/C20H21N5O/c1-23(2)17-10-6-9-16(13-17)20(26)24-11-12-25-18(14-24)21-22-19(25)15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3
InChIKeyGSJXQQGQVKKIEQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.67
Rot. Bonds3

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

[3-(dimethylamino)phenyl]-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 71989166) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID71989166
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[3-(dimethylamino)phenyl]-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c1
InChIInChI=1S/C20H21N5O/c1-23(2)17-10-6-9-16(13-17)20(26)24-11-12-25-18(14-24)21-22-19(25)15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3
InChIKeyGSJXQQGQVKKIEQ-UHFFFAOYSA-N
XLogP2.67
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 71989166) is [3-(dimethylamino)phenyl]-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is CN(C)c1cccc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is GSJXQQGQVKKIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-23(2)17-10-6-9-16(13-17)20(26)24-11-12-25-18(14-24)21-22-19(25)15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
[3-(dimethylamino)phenyl]-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 71989166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).