4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one

C13H17N5O — CID 79120607

IUPAC4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one
SMILESCc1cc(N(C)C2CCC(=O)CC2)n2ncnc2n1
InChIInChI=1S/C13H17N5O/c1-9-7-12(18-13(16-9)14-8-15-18)17(2)10-3-5-11(19)6-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeyAVNJDHZYDMWFMW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.38
Rot. Bonds2

About 4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one

4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one (PubChem CID 79120607) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one
PubChem CID79120607
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one
SMILESCc1cc(N(C)C2CCC(=O)CC2)n2ncnc2n1
InChIInChI=1S/C13H17N5O/c1-9-7-12(18-13(16-9)14-8-15-18)17(2)10-3-5-11(19)6-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeyAVNJDHZYDMWFMW-UHFFFAOYSA-N
XLogP1.38
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one (CID 79120607) is 4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one is Cc1cc(N(C)C2CCC(=O)CC2)n2ncnc2n1.
What is the InChIKey of 4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one?
The InChIKey is AVNJDHZYDMWFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-7-12(18-13(16-9)14-8-15-18)17(2)10-3-5-11(19)6-4-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one?
4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one has a molecular weight of 259.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one is sourced from PubChem (CID 79120607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).