6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine

C12H17N5O — CID 114251452

IUPAC6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine
SMILESCCOc1nc(Nc2ccn(CC)n2)ccc1N
InChIInChI=1S/C12H17N5O/c1-3-17-8-7-11(16-17)14-10-6-5-9(13)12(15-10)18-4-2/h5-8H,3-4,13H2,1-2H3,(H,14,15,16)
InChIKeyBUOMDQHEABIMFS-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.02
Rot. Bonds5

About 6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine

6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine (PubChem CID 114251452) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine
PubChem CID114251452
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine
SMILESCCOc1nc(Nc2ccn(CC)n2)ccc1N
InChIInChI=1S/C12H17N5O/c1-3-17-8-7-11(16-17)14-10-6-5-9(13)12(15-10)18-4-2/h5-8H,3-4,13H2,1-2H3,(H,14,15,16)
InChIKeyBUOMDQHEABIMFS-UHFFFAOYSA-N
XLogP2.02
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine (CID 114251452) is 6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine is CCOc1nc(Nc2ccn(CC)n2)ccc1N.
What is the InChIKey of 6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine?
The InChIKey is BUOMDQHEABIMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-17-8-7-11(16-17)14-10-6-5-9(13)12(15-10)18-4-2/h5-8H,3-4,13H2,1-2H3,(H,14,15,16).
What are the key properties of 6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine?
6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine has a molecular weight of 247.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine is sourced from PubChem (CID 114251452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).