N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine

C11H17N5O — CID 62347683

IUPACN-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine
SMILESCCCNCCOc1cc(C)nc2ncnn12
InChIInChI=1S/C11H17N5O/c1-3-4-12-5-6-17-10-7-9(2)15-11-13-8-14-16(10)11/h7-8,12H,3-6H2,1-2H3
InChIKeyMLBRADORCFRAJF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.81
Rot. Bonds6

About N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine

N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine (PubChem CID 62347683) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine
PubChem CID62347683
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine
SMILESCCCNCCOc1cc(C)nc2ncnn12
InChIInChI=1S/C11H17N5O/c1-3-4-12-5-6-17-10-7-9(2)15-11-13-8-14-16(10)11/h7-8,12H,3-6H2,1-2H3
InChIKeyMLBRADORCFRAJF-UHFFFAOYSA-N
XLogP0.81
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.81
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-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine (CID 62347683) is N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine is CCCNCCOc1cc(C)nc2ncnn12.
What is the InChIKey of N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine?
The InChIKey is MLBRADORCFRAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-3-4-12-5-6-17-10-7-9(2)15-11-13-8-14-16(10)11/h7-8,12H,3-6H2,1-2H3.
What are the key properties of N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine?
N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine is sourced from PubChem (CID 62347683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).