5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one

C11H19N5O — CID 82688407

IUPAC5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C11H19N5O/c1-9(6-12)2-3-11(17)15-4-5-16-8-13-14-10(16)7-15/h8-9H,2-7,12H2,1H3
InChIKeyREKZRLHHGZOZOJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.00
Rot. Bonds4

About 5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one

5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one (PubChem CID 82688407) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one
PubChem CID82688407
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C11H19N5O/c1-9(6-12)2-3-11(17)15-4-5-16-8-13-14-10(16)7-15/h8-9H,2-7,12H2,1H3
InChIKeyREKZRLHHGZOZOJ-UHFFFAOYSA-N
XLogP-0.00
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one
CID 79193296
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(propan-2-ylamino)butan-1-one
CID 64575033
2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 64576761
2-(2-aminoethoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 79478280
3-(4-aminophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 64583536
2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 64583915
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-3-methylbutanethioamide
CID 64577720
2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 104678296
2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid
CID 64575394
5-amino-4-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pentan-1-one
CID 82011875
(2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)propanoic acid
CID 64575080
4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid
CID 64575845

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one (CID 82688407) is 5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one is CC(CN)CCC(=O)N1CCn2cnnc2C1.
What is the InChIKey of 5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one?
The InChIKey is REKZRLHHGZOZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9(6-12)2-3-11(17)15-4-5-16-8-13-14-10(16)7-15/h8-9H,2-7,12H2,1H3.
What are the key properties of 5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one?
5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one has a molecular weight of 237.31 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one is sourced from PubChem (CID 82688407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).