2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one

C11H16N4O — CID 82144179

IUPAC2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one
SMILESCC(C)(N)CN1N=C2C=CC=CN2CC1=O
InChIInChI=1S/C11H16N4O/c1-11(2,12)8-15-10(16)7-14-6-4-3-5-9(14)13-15/h3-6H,7-8,12H2,1-2H3
InChIKeyTWMIVQQLICXWIJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.26
Rot. Bonds2

About 2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one

2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one (PubChem CID 82144179) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one
PubChem CID82144179
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one
SMILESCC(C)(N)CN1N=C2C=CC=CN2CC1=O
InChIInChI=1S/C11H16N4O/c1-11(2,12)8-15-10(16)7-14-6-4-3-5-9(14)13-15/h3-6H,7-8,12H2,1-2H3
InChIKeyTWMIVQQLICXWIJ-UHFFFAOYSA-N
XLogP0.26
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide
CID 82151617
2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one
CID 82151408
4H-pyrido[1,2-a]pyrimidine-2,3-dione
CID 23459858
7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one
CID 82058547
2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one
CID 82058616
2-(4-chloro-2-methylbutan-2-yl)-3H-[1,2,4]triazolo[4,3-a]pyridine
CID 175696147
ethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine
CID 142283394
1-(2-amino-2-methylpropyl)-3-methylimidazolidin-4-one
CID 130622371
4-(2-amino-2-methylpropyl)-1,2,4-triazolidine-3,5-dione
CID 107410051
3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine
CID 141214894
1-(2-amino-2-methylpropyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 115303861
2-(2-amino-2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 113282808

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
The IUPAC name of 2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one (CID 82144179) is 2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
The canonical SMILES for 2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one is CC(C)(N)CN1N=C2C=CC=CN2CC1=O.
What is the InChIKey of 2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
The InChIKey is TWMIVQQLICXWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-11(2,12)8-15-10(16)7-14-6-4-3-5-9(14)13-15/h3-6H,7-8,12H2,1-2H3.
What are the key properties of 2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one has a molecular weight of 220.28 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one is sourced from PubChem (CID 82144179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).