N,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine

C12H19N5O — CID 22619947

IUPACN,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine
SMILESCCN(CC)CCOc1cc(C)nc2ncnn12
InChIInChI=1S/C12H19N5O/c1-4-16(5-2)6-7-18-11-8-10(3)15-12-13-9-14-17(11)12/h8-9H,4-7H2,1-3H3
InChIKeyAAFQRIHALOTKGN-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.15
Rot. Bonds6

About N,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine

N,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine (PubChem CID 22619947) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine
PubChem CID22619947
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine
SMILESCCN(CC)CCOc1cc(C)nc2ncnn12
InChIInChI=1S/C12H19N5O/c1-4-16(5-2)6-7-18-11-8-10(3)15-12-13-9-14-17(11)12/h8-9H,4-7H2,1-3H3
InChIKeyAAFQRIHALOTKGN-UHFFFAOYSA-N
XLogP1.15
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine (CID 22619947) is N,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine is CCN(CC)CCOc1cc(C)nc2ncnn12.
What is the InChIKey of N,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine?
The InChIKey is AAFQRIHALOTKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-16(5-2)6-7-18-11-8-10(3)15-12-13-9-14-17(11)12/h8-9H,4-7H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine?
N,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine has a molecular weight of 249.32 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine is sourced from PubChem (CID 22619947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).