2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H21N5O2 — CID 6501337

IUPAC2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(C(=O)N3CCC(C)CC3)nc2n1
InChIInChI=1S/C15H21N5O2/c1-3-4-11-9-12(21)20-15(16-11)17-13(18-20)14(22)19-7-5-10(2)6-8-19/h9-10H,3-8H2,1-2H3,(H,16,17,18)
InChIKeySNDBJUFZEBRHNY-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.24
Rot. Bonds3

About 2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 6501337) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID6501337
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(C(=O)N3CCC(C)CC3)nc2n1
InChIInChI=1S/C15H21N5O2/c1-3-4-11-9-12(21)20-15(16-11)17-13(18-20)14(22)19-7-5-10(2)6-8-19/h9-10H,3-8H2,1-2H3,(H,16,17,18)
InChIKeySNDBJUFZEBRHNY-UHFFFAOYSA-N
XLogP1.24
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 6501337) is 2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(C(=O)N3CCC(C)CC3)nc2n1.
What is the InChIKey of 2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SNDBJUFZEBRHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-4-11-9-12(21)20-15(16-11)17-13(18-20)14(22)19-7-5-10(2)6-8-19/h9-10H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 303.37 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidine-1-carbonyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 6501337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).