N-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

C15H23N5O — CID 20863616

IUPACN-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCCCCNC(=O)CCc1c(C)nc2nc(C)nn2c1C
InChIInChI=1S/C15H23N5O/c1-5-6-9-16-14(21)8-7-13-10(2)17-15-18-12(4)19-20(15)11(13)3/h5-9H2,1-4H3,(H,16,21)
InChIKeyMTYBHFGAZVAEHG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.90
Rot. Bonds6

About N-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

N-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 20863616) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID20863616
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCCCCNC(=O)CCc1c(C)nc2nc(C)nn2c1C
InChIInChI=1S/C15H23N5O/c1-5-6-9-16-14(21)8-7-13-10(2)17-15-18-12(4)19-20(15)11(13)3/h5-9H2,1-4H3,(H,16,21)
InChIKeyMTYBHFGAZVAEHG-UHFFFAOYSA-N
XLogP1.90
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 20863616) is N-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is CCCCNC(=O)CCc1c(C)nc2nc(C)nn2c1C.
What is the InChIKey of N-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is MTYBHFGAZVAEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-6-9-16-14(21)8-7-13-10(2)17-15-18-12(4)19-20(15)11(13)3/h5-9H2,1-4H3,(H,16,21).
What are the key properties of N-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 20863616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).