2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one

C10H16N4O — CID 164651796

IUPAC2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one
SMILESCCC(C)C(=O)C1Cn2cnnc2CN1
InChIInChI=1S/C10H16N4O/c1-3-7(2)10(15)8-5-14-6-12-13-9(14)4-11-8/h6-8,11H,3-5H2,1-2H3
InChIKeySIVYPGVPYBBMKM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.37
Rot. Bonds3

About 2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one

2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one (PubChem CID 164651796) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one.

Molecular Properties

Compound Name2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one
PubChem CID164651796
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one
SMILESCCC(C)C(=O)C1Cn2cnnc2CN1
InChIInChI=1S/C10H16N4O/c1-3-7(2)10(15)8-5-14-6-12-13-9(14)4-11-8/h6-8,11H,3-5H2,1-2H3
InChIKeySIVYPGVPYBBMKM-UHFFFAOYSA-N
XLogP0.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
CID 165444569
6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 177227339
6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 177227538
ethyl 2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-6-carboxylate
CID 131420241
2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 64576761
2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 145392855
1-(4-fluoropyrrolidin-2-yl)-2-methylbutan-1-one
CID 90709568
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoic acid
CID 64576109
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one
CID 79193296
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide
CID 77047426
(2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid
CID 64576614
1-(1-benzylazetidin-3-yl)-2-methylbutan-1-one
CID 170701764

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one?
The IUPAC name of 2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one (CID 164651796) is 2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one.
What is the SMILES notation for 2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one?
The canonical SMILES for 2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one is CCC(C)C(=O)C1Cn2cnnc2CN1.
What is the InChIKey of 2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one?
The InChIKey is SIVYPGVPYBBMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-7(2)10(15)8-5-14-6-12-13-9(14)4-11-8/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one?
2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one has a molecular weight of 208.26 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one is sourced from PubChem (CID 164651796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).