N-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine

C12H17N5O — CID 81346388

IUPACN-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(Oc2cc(C)nn2C)n1
InChIInChI=1S/C12H17N5O/c1-4-13-6-10-7-14-8-11(15-10)18-12-5-9(2)16-17(12)3/h5,7-8,13H,4,6H2,1-3H3
InChIKeyASWQQKLSKUXBLX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.42
Rot. Bonds5

About N-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine

N-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine (PubChem CID 81346388) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine
PubChem CID81346388
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(Oc2cc(C)nn2C)n1
InChIInChI=1S/C12H17N5O/c1-4-13-6-10-7-14-8-11(15-10)18-12-5-9(2)16-17(12)3/h5,7-8,13H,4,6H2,1-3H3
InChIKeyASWQQKLSKUXBLX-UHFFFAOYSA-N
XLogP1.42
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine (CID 81346388) is N-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine is CCNCc1cncc(Oc2cc(C)nn2C)n1.
What is the InChIKey of N-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine?
The InChIKey is ASWQQKLSKUXBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-13-6-10-7-14-8-11(15-10)18-12-5-9(2)16-17(12)3/h5,7-8,13H,4,6H2,1-3H3.
What are the key properties of N-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine?
N-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,5-dimethylpyrazol-3-yl)oxypyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 81346388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).