2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one

C11H20N4O — CID 112707871

IUPAC2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one
SMILESCCCn1c(C2CCNCC2)nn(C)c1=O
InChIInChI=1S/C11H20N4O/c1-3-8-15-10(13-14(2)11(15)16)9-4-6-12-7-5-9/h9,12H,3-8H2,1-2H3
InChIKeyFFQKYXRFYJAXCC-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.46
Rot. Bonds3

About 2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one

2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one (PubChem CID 112707871) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one
PubChem CID112707871
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one
SMILESCCCn1c(C2CCNCC2)nn(C)c1=O
InChIInChI=1S/C11H20N4O/c1-3-8-15-10(13-14(2)11(15)16)9-4-6-12-7-5-9/h9,12H,3-8H2,1-2H3
InChIKeyFFQKYXRFYJAXCC-UHFFFAOYSA-N
XLogP0.46
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464598
7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464122
1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione
CID 82463753
4-ethyl-5-piperidin-4-yl-2-(pyrimidin-2-ylmethyl)-1,2,4-triazol-3-one;hydrochloride
CID 154889711
3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464497
3-cyclopropyl-4-propyl-1H-1,2,4-triazol-5-one
CID 178200614
4-benzyl-2-(2-ethoxyethyl)-5-piperidin-4-yl-1,2,4-triazol-3-one;dihydrochloride
CID 154888603
5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one
CID 126953789
5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
CID 82333743
2-methyl-5-piperidin-4-yl-4H-1,2,4-triazol-3-one
CID 136966014
4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine
CID 82463375
4-(1-ethyl-4-methylimidazol-2-yl)piperidine
CID 82463366

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one?
The IUPAC name of 2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one (CID 112707871) is 2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one is CCCn1c(C2CCNCC2)nn(C)c1=O.
What is the InChIKey of 2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one?
The InChIKey is FFQKYXRFYJAXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-8-15-10(13-14(2)11(15)16)9-4-6-12-7-5-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one?
2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one has a molecular weight of 224.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one is sourced from PubChem (CID 112707871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).