N-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

C16H24N6O — CID 649450

IUPACN-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCCCc1cc(N2CCCC(C(=O)NCC)C2)n2ncnc2n1
InChIInChI=1S/C16H24N6O/c1-3-6-13-9-14(22-16(20-13)18-11-19-22)21-8-5-7-12(10-21)15(23)17-4-2/h9,11-12H,3-8,10H2,1-2H3,(H,17,23)
InChIKeyMMJBHLFXXGQKBJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.43
Rot. Bonds5

About N-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

N-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (PubChem CID 649450) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
PubChem CID649450
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCCCc1cc(N2CCCC(C(=O)NCC)C2)n2ncnc2n1
InChIInChI=1S/C16H24N6O/c1-3-6-13-9-14(22-16(20-13)18-11-19-22)21-8-5-7-12(10-21)15(23)17-4-2/h9,11-12H,3-8,10H2,1-2H3,(H,17,23)
InChIKeyMMJBHLFXXGQKBJ-UHFFFAOYSA-N
XLogP1.43
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (CID 649450) is N-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is CCCc1cc(N2CCCC(C(=O)NCC)C2)n2ncnc2n1.
What is the InChIKey of N-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The InChIKey is MMJBHLFXXGQKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-3-6-13-9-14(22-16(20-13)18-11-19-22)21-8-5-7-12(10-21)15(23)17-4-2/h9,11-12H,3-8,10H2,1-2H3,(H,17,23).
What are the key properties of N-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
N-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 649450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).