2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C14H20N4O — CID 117131435

IUPAC2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)N1CCC(Cc2nc3cccc(=O)n3[nH]2)C1
InChIInChI=1S/C14H20N4O/c1-10(2)17-7-6-11(9-17)8-12-15-13-4-3-5-14(19)18(13)16-12/h3-5,10-11H,6-9H2,1-2H3,(H,15,16)
InChIKeyVWDMUNASKYNAFJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.30
Rot. Bonds3

About 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117131435) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117131435
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)N1CCC(Cc2nc3cccc(=O)n3[nH]2)C1
InChIInChI=1S/C14H20N4O/c1-10(2)17-7-6-11(9-17)8-12-15-13-4-3-5-14(19)18(13)16-12/h3-5,10-11H,6-9H2,1-2H3,(H,15,16)
InChIKeyVWDMUNASKYNAFJ-UHFFFAOYSA-N
XLogP1.30
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117131424
[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
CID 117140724
8-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136108
2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117132364
5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117141394
5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine
CID 122607446
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117153890
[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132270
8-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117146357
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine
CID 115082349
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine
CID 110101835
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117131435) is 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CC(C)N1CCC(Cc2nc3cccc(=O)n3[nH]2)C1.
What is the InChIKey of 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is VWDMUNASKYNAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)17-7-6-11(9-17)8-12-15-13-4-3-5-14(19)18(13)16-12/h3-5,10-11H,6-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 260.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117131435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).