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

C17H21N5O2S — CID 53046182

IUPACN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)pentanamide
SMILESCCCCC(=O)N(Cc1cccs1)c1nc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C17H21N5O2S/c1-4-5-8-14(23)21(10-13-7-6-9-25-13)17-19-16-18-12(3)11(2)15(24)22(16)20-17/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,19,20)
InChIKeyNQHOMKCWTFDZEY-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.82
Rot. Bonds6

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

N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)pentanamide (PubChem CID 53046182) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)pentanamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)pentanamide
PubChem CID53046182
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)pentanamide
SMILESCCCCC(=O)N(Cc1cccs1)c1nc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C17H21N5O2S/c1-4-5-8-14(23)21(10-13-7-6-9-25-13)17-19-16-18-12(3)11(2)15(24)22(16)20-17/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,19,20)
InChIKeyNQHOMKCWTFDZEY-UHFFFAOYSA-N
XLogP2.82
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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)-N-(thiophen-2-ylmethyl)pentanamide?
The IUPAC name of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)pentanamide (CID 53046182) is N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)pentanamide.
What is the SMILES notation for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)pentanamide?
The canonical SMILES for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)pentanamide is CCCCC(=O)N(Cc1cccs1)c1nc2nc(C)c(C)c(=O)n2[nH]1.
What is the InChIKey of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)pentanamide?
The InChIKey is NQHOMKCWTFDZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-4-5-8-14(23)21(10-13-7-6-9-25-13)17-19-16-18-12(3)11(2)15(24)22(16)20-17/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,19,20).
What are the key properties of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)pentanamide?
N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)pentanamide has a molecular weight of 359.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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)-N-(thiophen-2-ylmethyl)pentanamide is sourced from PubChem (CID 53046182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).