2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H24N4O — CID 75864744

IUPAC2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(C)CN(CC(C)C)Cn1nc2ccccn2c1=O
InChIInChI=1S/C15H24N4O/c1-12(2)9-17(10-13(3)4)11-19-15(20)18-8-6-5-7-14(18)16-19/h5-8,12-13H,9-11H2,1-4H3
InChIKeyBLKGIJUQHMZFLB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.07
Rot. Bonds6

About 2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 75864744) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID75864744
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(C)CN(CC(C)C)Cn1nc2ccccn2c1=O
InChIInChI=1S/C15H24N4O/c1-12(2)9-17(10-13(3)4)11-19-15(20)18-8-6-5-7-14(18)16-19/h5-8,12-13H,9-11H2,1-4H3
InChIKeyBLKGIJUQHMZFLB-UHFFFAOYSA-N
XLogP2.07
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-[2-(bromomethyl)-3-methylbutyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 65011802
2-methyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 116618681
2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618637
N-(2-methylpropoxy)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 115410231
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17461923
2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954885
2-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115633546
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43165993
2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid
CID 43245331
N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
CID 134007051

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 75864744) is 2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC(C)CN(CC(C)C)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is BLKGIJUQHMZFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)9-17(10-13(3)4)11-19-15(20)18-8-6-5-7-14(18)16-19/h5-8,12-13H,9-11H2,1-4H3.
What are the key properties of 2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 276.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 75864744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).