2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one

C18H31N5O — CID 177301979

IUPAC2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
SMILESCC(C)CN1CCC(c2nnc3n2CCN(C(=O)C(C)C)C3)CC1
InChIInChI=1S/C18H31N5O/c1-13(2)11-21-7-5-15(6-8-21)17-20-19-16-12-22(9-10-23(16)17)18(24)14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyQGJCLSCTSXTAJZ-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.11
Rot. Bonds4

About 2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one

2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one (PubChem CID 177301979) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
PubChem CID177301979
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
SMILESCC(C)CN1CCC(c2nnc3n2CCN(C(=O)C(C)C)C3)CC1
InChIInChI=1S/C18H31N5O/c1-13(2)11-21-7-5-15(6-8-21)17-20-19-16-12-22(9-10-23(16)17)18(24)14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyQGJCLSCTSXTAJZ-UHFFFAOYSA-N
XLogP2.11
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one (CID 177301979) is 2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one is CC(C)CN1CCC(c2nnc3n2CCN(C(=O)C(C)C)C3)CC1.
What is the InChIKey of 2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one?
The InChIKey is QGJCLSCTSXTAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-13(2)11-21-7-5-15(6-8-21)17-20-19-16-12-22(9-10-23(16)17)18(24)14(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one?
2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one has a molecular weight of 333.48 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 177301979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).