2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one

C19H23N7O — CID 120596320

IUPAC2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCc1cc(N2CCN(C(=O)C(C)(N)c3ccccc3)CC2)n2ncnc2n1
InChIInChI=1S/C19H23N7O/c1-14-12-16(26-18(23-14)21-13-22-26)24-8-10-25(11-9-24)17(27)19(2,20)15-6-4-3-5-7-15/h3-7,12-13H,8-11,20H2,1-2H3
InChIKeyHIQWDVMXFWJJLE-UHFFFAOYSA-N
MW365.44 g/mol
LogP0.96
Rot. Bonds3

About 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one

2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one (PubChem CID 120596320) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one
PubChem CID120596320
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCc1cc(N2CCN(C(=O)C(C)(N)c3ccccc3)CC2)n2ncnc2n1
InChIInChI=1S/C19H23N7O/c1-14-12-16(26-18(23-14)21-13-22-26)24-8-10-25(11-9-24)17(27)19(2,20)15-6-4-3-5-7-15/h3-7,12-13H,8-11,20H2,1-2H3
InChIKeyHIQWDVMXFWJJLE-UHFFFAOYSA-N
XLogP0.96
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 55601212
furan-2-yl-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 646747
2-amino-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120594911
ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 145341902
[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 55853214
(3-methoxyphenyl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 38014441
(3,5-dimethylfuran-2-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 136512682
[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 38012980
7-[4-(2-chlorophenyl)-1,4-diazepan-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122154137
2-methyl-3-(methylamino)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 119872490
(1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 162636642
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one (CID 120596320) is 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one is Cc1cc(N2CCN(C(=O)C(C)(N)c3ccccc3)CC2)n2ncnc2n1.
What is the InChIKey of 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one?
The InChIKey is HIQWDVMXFWJJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-14-12-16(26-18(23-14)21-13-22-26)24-8-10-25(11-9-24)17(27)19(2,20)15-6-4-3-5-7-15/h3-7,12-13H,8-11,20H2,1-2H3.
What are the key properties of 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one?
2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one has a molecular weight of 365.44 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 120596320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).