N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine

C11H15N5O — CID 81341590

IUPACN-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C11H15N5O/c1-3-12-5-9-6-13-7-11(14-9)17-10-4-8(2)15-16-10/h4,6-7,12H,3,5H2,1-2H3,(H,15,16)
InChIKeyCHCNYOPZWAOPFZ-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.41
Rot. Bonds5

About N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine

N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine (PubChem CID 81341590) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine
PubChem CID81341590
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC NameN-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C11H15N5O/c1-3-12-5-9-6-13-7-11(14-9)17-10-4-8(2)15-16-10/h4,6-7,12H,3,5H2,1-2H3,(H,15,16)
InChIKeyCHCNYOPZWAOPFZ-UHFFFAOYSA-N
XLogP1.41
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine (CID 81341590) is N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine is CCNCc1cncc(Oc2cc(C)[nH]n2)n1.
What is the InChIKey of N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine?
The InChIKey is CHCNYOPZWAOPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-12-5-9-6-13-7-11(14-9)17-10-4-8(2)15-16-10/h4,6-7,12H,3,5H2,1-2H3,(H,15,16).
What are the key properties of N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine?
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine has a molecular weight of 233.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 81341590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).