[3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine

C14H21N5O — CID 81341711

IUPAC[3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine
SMILESCCc1nnc(Oc2cc(C)nn2C)c(CN)c1CC
InChIInChI=1S/C14H21N5O/c1-5-10-11(8-15)14(17-16-12(10)6-2)20-13-7-9(3)18-19(13)4/h7H,5-6,8,15H2,1-4H3
InChIKeyOCGPJOIDOAQGSO-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.89
Rot. Bonds5

About [3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine

[3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine (PubChem CID 81341711) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is [3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine
PubChem CID81341711
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name[3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine
SMILESCCc1nnc(Oc2cc(C)nn2C)c(CN)c1CC
InChIInChI=1S/C14H21N5O/c1-5-10-11(8-15)14(17-16-12(10)6-2)20-13-7-9(3)18-19(13)4/h7H,5-6,8,15H2,1-4H3
InChIKeyOCGPJOIDOAQGSO-UHFFFAOYSA-N
XLogP1.89
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine (CID 81341711) is [3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine is CCc1nnc(Oc2cc(C)nn2C)c(CN)c1CC.
What is the InChIKey of [3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine?
The InChIKey is OCGPJOIDOAQGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-10-11(8-15)14(17-16-12(10)6-2)20-13-7-9(3)18-19(13)4/h7H,5-6,8,15H2,1-4H3.
What are the key properties of [3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine?
[3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine has a molecular weight of 275.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 81341711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).