N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide

C14H19N5O2 — CID 6459951

IUPACN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
SMILESCc1nc2nc(NC(=O)C3CCCCC3)[nH]n2c(=O)c1C
InChIInChI=1S/C14H19N5O2/c1-8-9(2)15-14-17-13(18-19(14)12(8)21)16-11(20)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,15,16,17,18,20)
InChIKeyWIOUACLEPWGJFI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.55
Rot. Bonds2

About N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide

N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide (PubChem CID 6459951) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
PubChem CID6459951
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
SMILESCc1nc2nc(NC(=O)C3CCCCC3)[nH]n2c(=O)c1C
InChIInChI=1S/C14H19N5O2/c1-8-9(2)15-14-17-13(18-19(14)12(8)21)16-11(20)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,15,16,17,18,20)
InChIKeyWIOUACLEPWGJFI-UHFFFAOYSA-N
XLogP1.55
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide (CID 6459951) is N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide is Cc1nc2nc(NC(=O)C3CCCCC3)[nH]n2c(=O)c1C.
What is the InChIKey of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide?
The InChIKey is WIOUACLEPWGJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-8-9(2)15-14-17-13(18-19(14)12(8)21)16-11(20)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,15,16,17,18,20).
What are the key properties of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide?
N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 6459951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).