[3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C19H22N8O — CID 118771968

IUPAC[3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCN(C)c1n[nH]c(-c2cccc(C(=O)N3CCN(c4cnccn4)CC3)c2)n1
InChIInChI=1S/C19H22N8O/c1-25(2)19-22-17(23-24-19)14-4-3-5-15(12-14)18(28)27-10-8-26(9-11-27)16-13-20-6-7-21-16/h3-7,12-13H,8-11H2,1-2H3,(H,22,23,24)
InChIKeyYVSCZLCWMDQXJA-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.29
Rot. Bonds4

About [3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 118771968) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is [3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID118771968
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name[3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCN(C)c1n[nH]c(-c2cccc(C(=O)N3CCN(c4cnccn4)CC3)c2)n1
InChIInChI=1S/C19H22N8O/c1-25(2)19-22-17(23-24-19)14-4-3-5-15(12-14)18(28)27-10-8-26(9-11-27)16-13-20-6-7-21-16/h3-7,12-13H,8-11H2,1-2H3,(H,22,23,24)
InChIKeyYVSCZLCWMDQXJA-UHFFFAOYSA-N
XLogP1.29
TPSA94.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 122559443
(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024085
3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide
CID 125160027
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
[6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 138378091
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone
CID 125179666
[4-[2-(dimethylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 75373060
[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 119066291
1-[[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 71555884
[3-(dimethylamino)phenyl]-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087830
[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 33113092
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215

Frequently Asked Questions

What is the IUPAC name of [3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 118771968) is [3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is CN(C)c1n[nH]c(-c2cccc(C(=O)N3CCN(c4cnccn4)CC3)c2)n1.
What is the InChIKey of [3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is YVSCZLCWMDQXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-25(2)19-22-17(23-24-19)14-4-3-5-15(12-14)18(28)27-10-8-26(9-11-27)16-13-20-6-7-21-16/h3-7,12-13H,8-11H2,1-2H3,(H,22,23,24).
What are the key properties of [3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 378.44 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 118771968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).