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

C17H27N5O2 — CID 20863620

IUPACN-(3-propan-2-yloxypropyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2nc(C)c(CCC(=O)NCCCOC(C)C)c(C)n2n1
InChIInChI=1S/C17H27N5O2/c1-11(2)24-10-6-9-18-16(23)8-7-15-12(3)19-17-20-14(5)21-22(17)13(15)4/h11H,6-10H2,1-5H3,(H,18,23)
InChIKeyRHAXYNGFXKNMRG-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.91
Rot. Bonds8

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

N-(3-propan-2-yloxypropyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 20863620) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID20863620
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-(3-propan-2-yloxypropyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2nc(C)c(CCC(=O)NCCCOC(C)C)c(C)n2n1
InChIInChI=1S/C17H27N5O2/c1-11(2)24-10-6-9-18-16(23)8-7-15-12(3)19-17-20-14(5)21-22(17)13(15)4/h11H,6-10H2,1-5H3,(H,18,23)
InChIKeyRHAXYNGFXKNMRG-UHFFFAOYSA-N
XLogP1.91
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-propan-2-yloxypropyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 20863620) is N-(3-propan-2-yloxypropyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2nc(C)c(CCC(=O)NCCCOC(C)C)c(C)n2n1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is RHAXYNGFXKNMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-11(2)24-10-6-9-18-16(23)8-7-15-12(3)19-17-20-14(5)21-22(17)13(15)4/h11H,6-10H2,1-5H3,(H,18,23).
What are the key properties of N-(3-propan-2-yloxypropyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(3-propan-2-yloxypropyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 333.44 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 20863620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).