2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol

C21H24N4O2 — CID 170258878

IUPAC2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2nnc(NC3CCCCC3O)c3ncccc23)c(O)c1
InChIInChI=1S/C21H24N4O2/c1-12-10-13(2)18(17(27)11-12)19-14-6-5-9-22-20(14)21(25-24-19)23-15-7-3-4-8-16(15)26/h5-6,9-11,15-16,26-27H,3-4,7-8H2,1-2H3,(H,23,25)
InChIKeyRNBGTNLNAWUHAI-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.73
Rot. Bonds3

About 2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol

2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol (PubChem CID 170258878) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol
PubChem CID170258878
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2nnc(NC3CCCCC3O)c3ncccc23)c(O)c1
InChIInChI=1S/C21H24N4O2/c1-12-10-13(2)18(17(27)11-12)19-14-6-5-9-22-20(14)21(25-24-19)23-15-7-3-4-8-16(15)26/h5-6,9-11,15-16,26-27H,3-4,7-8H2,1-2H3,(H,23,25)
InChIKeyRNBGTNLNAWUHAI-UHFFFAOYSA-N
XLogP3.73
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol?
The IUPAC name of 2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol (CID 170258878) is 2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol?
The canonical SMILES for 2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol is Cc1cc(C)c(-c2nnc(NC3CCCCC3O)c3ncccc23)c(O)c1.
What is the InChIKey of 2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol?
The InChIKey is RNBGTNLNAWUHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-12-10-13(2)18(17(27)11-12)19-14-6-5-9-22-20(14)21(25-24-19)23-15-7-3-4-8-16(15)26/h5-6,9-11,15-16,26-27H,3-4,7-8H2,1-2H3,(H,23,25).
What are the key properties of 2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol?
2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol has a molecular weight of 364.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol is sourced from PubChem (CID 170258878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).