4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol

C15H17N5O — CID 90671743

IUPAC4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol
SMILESCCc1cc(NCCc2ccc(O)cc2)c2nncn2n1
InChIInChI=1S/C15H17N5O/c1-2-12-9-14(15-18-17-10-20(15)19-12)16-8-7-11-3-5-13(21)6-4-11/h3-6,9-10,16,21H,2,7-8H2,1H3
InChIKeyZVPIPIVJZXUNHH-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.05
Rot. Bonds5

About 4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol

4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol (PubChem CID 90671743) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol
PubChem CID90671743
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol
SMILESCCc1cc(NCCc2ccc(O)cc2)c2nncn2n1
InChIInChI=1S/C15H17N5O/c1-2-12-9-14(15-18-17-10-20(15)19-12)16-8-7-11-3-5-13(21)6-4-11/h3-6,9-10,16,21H,2,7-8H2,1H3
InChIKeyZVPIPIVJZXUNHH-UHFFFAOYSA-N
XLogP2.05
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol (CID 90671743) is 4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol is CCc1cc(NCCc2ccc(O)cc2)c2nncn2n1.
What is the InChIKey of 4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol?
The InChIKey is ZVPIPIVJZXUNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-12-9-14(15-18-17-10-20(15)19-12)16-8-7-11-3-5-13(21)6-4-11/h3-6,9-10,16,21H,2,7-8H2,1H3.
What are the key properties of 4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol?
4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol has a molecular weight of 283.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol is sourced from PubChem (CID 90671743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).