2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid

C17H25N5O2 — CID 122061823

IUPAC2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCc1nnc(NC2CC(N(CC)CC(=O)O)C2)c(C#N)c1CC
InChIInChI=1S/C17H25N5O2/c1-4-13-14(9-18)17(21-20-15(13)5-2)19-11-7-12(8-11)22(6-3)10-16(23)24/h11-12H,4-8,10H2,1-3H3,(H,19,21)(H,23,24)
InChIKeyYDJORJYAQCEFLP-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.82
Rot. Bonds8

About 2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122061823) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122061823
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCc1nnc(NC2CC(N(CC)CC(=O)O)C2)c(C#N)c1CC
InChIInChI=1S/C17H25N5O2/c1-4-13-14(9-18)17(21-20-15(13)5-2)19-11-7-12(8-11)22(6-3)10-16(23)24/h11-12H,4-8,10H2,1-3H3,(H,19,21)(H,23,24)
InChIKeyYDJORJYAQCEFLP-UHFFFAOYSA-N
XLogP1.82
TPSA102.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid (CID 122061823) is 2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid is CCc1nnc(NC2CC(N(CC)CC(=O)O)C2)c(C#N)c1CC.
What is the InChIKey of 2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is YDJORJYAQCEFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-13-14(9-18)17(21-20-15(13)5-2)19-11-7-12(8-11)22(6-3)10-16(23)24/h11-12H,4-8,10H2,1-3H3,(H,19,21)(H,23,24).
What are the key properties of 2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 331.42 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122061823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).