2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C10H15N5O — CID 130154781

IUPAC2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCCn1c(=O)c(C)cn2nc(N)nc12
InChIInChI=1S/C10H15N5O/c1-3-4-5-14-8(16)7(2)6-15-10(14)12-9(11)13-15/h6H,3-5H2,1-2H3,(H2,11,13)
InChIKeyFADCIUINSGHGHT-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.58
Rot. Bonds3

About 2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 130154781) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID130154781
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCCn1c(=O)c(C)cn2nc(N)nc12
InChIInChI=1S/C10H15N5O/c1-3-4-5-14-8(16)7(2)6-15-10(14)12-9(11)13-15/h6H,3-5H2,1-2H3,(H2,11,13)
InChIKeyFADCIUINSGHGHT-UHFFFAOYSA-N
XLogP0.58
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-butyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 139682448
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
6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile
CID 4557970
2-amino-3-butylquinazolin-4-one
CID 71653207
3-amino-2-pentylisoquinolin-1-one
CID 43162648
3-butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815
1-butyl-3,5-dimethylpyridin-2-one
CID 13169253
3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one
CID 82466882
1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole
CID 142562424
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240
4,6-diamino-1-butylpyrimidine-2-thione
CID 19769305

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 130154781) is 2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCCCn1c(=O)c(C)cn2nc(N)nc12.
What is the InChIKey of 2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is FADCIUINSGHGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-4-5-14-8(16)7(2)6-15-10(14)12-9(11)13-15/h6H,3-5H2,1-2H3,(H2,11,13).
What are the key properties of 2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 221.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 130154781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).