N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide

C12H17N5O2 — CID 7342954

IUPACN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide
SMILESCc1nc2nc(NC(=O)CC(C)C)[nH]n2c(=O)c1C
InChIInChI=1S/C12H17N5O2/c1-6(2)5-9(18)14-11-15-12-13-8(4)7(3)10(19)17(12)16-11/h6H,5H2,1-4H3,(H2,13,14,15,16,18)
InChIKeyRYFLXUULFIEKMT-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.02
Rot. Bonds3

About N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide

N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide (PubChem CID 7342954) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide
PubChem CID7342954
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide
SMILESCc1nc2nc(NC(=O)CC(C)C)[nH]n2c(=O)c1C
InChIInChI=1S/C12H17N5O2/c1-6(2)5-9(18)14-11-15-12-13-8(4)7(3)10(19)17(12)16-11/h6H,5H2,1-4H3,(H2,13,14,15,16,18)
InChIKeyRYFLXUULFIEKMT-UHFFFAOYSA-N
XLogP1.02
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.02
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)-3-methylbutanamide?
The IUPAC name of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide (CID 7342954) is N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide is Cc1nc2nc(NC(=O)CC(C)C)[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)-3-methylbutanamide?
The InChIKey is RYFLXUULFIEKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-6(2)5-9(18)14-11-15-12-13-8(4)7(3)10(19)17(12)16-11/h6H,5H2,1-4H3,(H2,13,14,15,16,18).
What are the key properties of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide?
N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide has a molecular weight of 263.30 g/mol, XLogP of 1.02, 3 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)-3-methylbutanamide is sourced from PubChem (CID 7342954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).