2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride

C14H19Cl2N5O — CID 119889183

IUPAC2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride
SMILESCc1nc2n(n1)CCN(C(=O)C(N)c1ccccc1)C2.Cl.Cl
InChIInChI=1S/C14H17N5O.2ClH/c1-10-16-12-9-18(7-8-19(12)17-10)14(20)13(15)11-5-3-2-4-6-11;;/h2-6,13H,7-9,15H2,1H3;2*1H
InChIKeyOMDAQGCEFFZTQS-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.47
Rot. Bonds2

About 2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride

2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride (PubChem CID 119889183) has the molecular formula C14H19Cl2N5O and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride
PubChem CID119889183
Molecular FormulaC14H19Cl2N5O
Molecular Weight344.25 g/mol
Exact Mass343.10
IUPAC Name2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride
SMILESCc1nc2n(n1)CCN(C(=O)C(N)c1ccccc1)C2.Cl.Cl
InChIInChI=1S/C14H17N5O.2ClH/c1-10-16-12-9-18(7-8-19(12)17-10)14(20)13(15)11-5-3-2-4-6-11;;/h2-6,13H,7-9,15H2,1H3;2*1H
InChIKeyOMDAQGCEFFZTQS-UHFFFAOYSA-N
XLogP1.47
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-phenylpropan-1-one
CID 119953964
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one
CID 102888815
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
2-amino-2-phenyl-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone;trihydrochloride
CID 119903167
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
CID 104897697
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid
CID 122027724
1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one
CID 172548508
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
2-amino-2-(4-methylphenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 120668746
2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120666503

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride?
The IUPAC name of 2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride (CID 119889183) is 2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride is Cc1nc2n(n1)CCN(C(=O)C(N)c1ccccc1)C2.Cl.Cl.
What is the InChIKey of 2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride?
The InChIKey is OMDAQGCEFFZTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O.2ClH/c1-10-16-12-9-18(7-8-19(12)17-10)14(20)13(15)11-5-3-2-4-6-11;;/h2-6,13H,7-9,15H2,1H3;2*1H.
What are the key properties of 2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride?
2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride has a molecular weight of 344.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride is sourced from PubChem (CID 119889183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).