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

C15H22N6O — CID 167745586

IUPAC4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C(C)N2CCn3c(nnc3C(C)C)C2)n1
InChIInChI=1S/C15H22N6O/c1-9(2)15-19-18-12-8-20(5-6-21(12)15)11(4)14-16-10(3)7-13(22)17-14/h7,9,11H,5-6,8H2,1-4H3,(H,16,17,22)
InChIKeyKSXLRABGSJTHJH-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.37
Rot. Bonds3

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

4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one (PubChem CID 167745586) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one
PubChem CID167745586
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C(C)N2CCn3c(nnc3C(C)C)C2)n1
InChIInChI=1S/C15H22N6O/c1-9(2)15-19-18-12-8-20(5-6-21(12)15)11(4)14-16-10(3)7-13(22)17-14/h7,9,11H,5-6,8H2,1-4H3,(H,16,17,22)
InChIKeyKSXLRABGSJTHJH-UHFFFAOYSA-N
XLogP1.37
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-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 4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one (CID 167745586) is 4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C(C)N2CCn3c(nnc3C(C)C)C2)n1.
What is the InChIKey of 4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one?
The InChIKey is KSXLRABGSJTHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-9(2)15-19-18-12-8-20(5-6-21(12)15)11(4)14-16-10(3)7-13(22)17-14/h7,9,11H,5-6,8H2,1-4H3,(H,16,17,22).
What are the key properties of 4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one?
4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one has a molecular weight of 302.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 167745586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).