2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C11H17N5O — CID 139682450

IUPAC2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCn1c(=O)c(C)cn2nc(N(C)C)nc12
InChIInChI=1S/C11H17N5O/c1-5-6-15-9(17)8(2)7-16-11(15)12-10(13-16)14(3)4/h7H,5-6H2,1-4H3
InChIKeyBYRKVVDEPPHSTI-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.68
Rot. Bonds3

About 2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 139682450) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID139682450
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCn1c(=O)c(C)cn2nc(N(C)C)nc12
InChIInChI=1S/C11H17N5O/c1-5-6-15-9(17)8(2)7-16-11(15)12-10(13-16)14(3)4/h7H,5-6H2,1-4H3
InChIKeyBYRKVVDEPPHSTI-UHFFFAOYSA-N
XLogP0.68
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 163508717
N-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 139682447
2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 130154781
2-amino-6-butyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 139682448
3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one
CID 139602502
2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 12820924
8-amino-3-methyl-1-propyl-6-sulfanylidenepyrimido[1,6-b][1,2,4]triazin-2-one
CID 3088766
2,5,6-trimethyl-1-propylbenzimidazole
CID 23609987
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one
CID 769702
1-[(4-chlorophenyl)methyl]-8-(dimethylamino)-7-methyl-3-propylpurine-2,6-dione
CID 25062660
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-4-propyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 24650872
6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 7214040

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 139682450) is 2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCCn1c(=O)c(C)cn2nc(N(C)C)nc12.
What is the InChIKey of 2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is BYRKVVDEPPHSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-5-6-15-9(17)8(2)7-16-11(15)12-10(13-16)14(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 235.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 139682450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).