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

C16H25N5O — CID 20863618

IUPACN-(3-methylbutyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2nc(C)c(CCC(=O)NCCC(C)C)c(C)n2n1
InChIInChI=1S/C16H25N5O/c1-10(2)8-9-17-15(22)7-6-14-11(3)18-16-19-13(5)20-21(16)12(14)4/h10H,6-9H2,1-5H3,(H,17,22)
InChIKeyAXXQEONSDAOXSA-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.14
Rot. Bonds6

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

N-(3-methylbutyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 20863618) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID20863618
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-(3-methylbutyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2nc(C)c(CCC(=O)NCCC(C)C)c(C)n2n1
InChIInChI=1S/C16H25N5O/c1-10(2)8-9-17-15(22)7-6-14-11(3)18-16-19-13(5)20-21(16)12(14)4/h10H,6-9H2,1-5H3,(H,17,22)
InChIKeyAXXQEONSDAOXSA-UHFFFAOYSA-N
XLogP2.14
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 20863618) is N-(3-methylbutyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2nc(C)c(CCC(=O)NCCC(C)C)c(C)n2n1.
What is the InChIKey of N-(3-methylbutyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is AXXQEONSDAOXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-10(2)8-9-17-15(22)7-6-14-11(3)18-16-19-13(5)20-21(16)12(14)4/h10H,6-9H2,1-5H3,(H,17,22).
What are the key properties of N-(3-methylbutyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(3-methylbutyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 303.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 20863618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).