2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide

C15H23N7O — CID 36958018

IUPAC2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1cc(N2CCN(CC(=O)NC(C)C)CC2)n2ncnc2n1
InChIInChI=1S/C15H23N7O/c1-11(2)18-13(23)9-20-4-6-21(7-5-20)14-8-12(3)19-15-16-10-17-22(14)15/h8,10-11H,4-7,9H2,1-3H3,(H,18,23)
InChIKeyOTDAFVRYXRYSTG-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.08
Rot. Bonds4

About 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 36958018) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID36958018
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1cc(N2CCN(CC(=O)NC(C)C)CC2)n2ncnc2n1
InChIInChI=1S/C15H23N7O/c1-11(2)18-13(23)9-20-4-6-21(7-5-20)14-8-12(3)19-15-16-10-17-22(14)15/h8,10-11H,4-7,9H2,1-3H3,(H,18,23)
InChIKeyOTDAFVRYXRYSTG-UHFFFAOYSA-N
XLogP0.08
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 36958018) is 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide is Cc1cc(N2CCN(CC(=O)NC(C)C)CC2)n2ncnc2n1.
What is the InChIKey of 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is OTDAFVRYXRYSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-11(2)18-13(23)9-20-4-6-21(7-5-20)14-8-12(3)19-15-16-10-17-22(14)15/h8,10-11H,4-7,9H2,1-3H3,(H,18,23).
What are the key properties of 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 317.40 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 36958018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).