7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C32H48N8O2 — CID 160895577

IUPAC7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCCc1nnc2c(=O)n(CC3CCCC(C)C3)ccn12.CCCc1nnc2c(=O)n(CC3CCCCC3C)ccn12
InChIInChI=1S/2C16H24N4O/c1-3-6-14-17-18-15-16(21)19(9-10-20(14)15)11-13-8-5-4-7-12(13)2;1-3-5-14-17-18-15-16(21)19(8-9-20(14)15)11-13-7-4-6-12(2)10-13/h9-10,12-13H,3-8,11H2,1-2H3;8-9,12-13H,3-7,10-11H2,1-2H3
InChIKeySOVFDGUQCZYMJJ-UHFFFAOYSA-N
MW576.79 g/mol
LogP5.34
Rot. Bonds8

About 7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 160895577) has the molecular formula C32H48N8O2 and a molecular weight of 576.79 g/mol. Its IUPAC name is 7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID160895577
Molecular FormulaC32H48N8O2
Molecular Weight576.79 g/mol
Exact Mass576.39
IUPAC Name7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCCc1nnc2c(=O)n(CC3CCCC(C)C3)ccn12.CCCc1nnc2c(=O)n(CC3CCCCC3C)ccn12
InChIInChI=1S/2C16H24N4O/c1-3-6-14-17-18-15-16(21)19(9-10-20(14)15)11-13-8-5-4-7-12(13)2;1-3-5-14-17-18-15-16(21)19(8-9-20(14)15)11-13-7-4-6-12(2)10-13/h9-10,12-13H,3-8,11H2,1-2H3;8-9,12-13H,3-7,10-11H2,1-2H3
InChIKeySOVFDGUQCZYMJJ-UHFFFAOYSA-N
XLogP5.34
TPSA104.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.79
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 160895577) is 7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CCCc1nnc2c(=O)n(CC3CCCC(C)C3)ccn12.CCCc1nnc2c(=O)n(CC3CCCCC3C)ccn12.
What is the InChIKey of 7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is SOVFDGUQCZYMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H24N4O/c1-3-6-14-17-18-15-16(21)19(9-10-20(14)15)11-13-8-5-4-7-12(13)2;1-3-5-14-17-18-15-16(21)19(8-9-20(14)15)11-13-7-4-6-12(2)10-13/h9-10,12-13H,3-8,11H2,1-2H3;8-9,12-13H,3-7,10-11H2,1-2H3.
What are the key properties of 7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 576.79 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one;7-[(3-methylcyclohexyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 160895577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).