2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol

C21H19N5O — CID 137029500

IUPAC2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol
SMILESCC(c1ccccc1)n1cnc(-c2cc(-c3ccccc3O)nnc2N)c1
InChIInChI=1S/C21H19N5O/c1-14(15-7-3-2-4-8-15)26-12-19(23-13-26)17-11-18(24-25-21(17)22)16-9-5-6-10-20(16)27/h2-14,27H,1H3,(H2,22,25)
InChIKeyRQWVMRVGMOGIBX-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.90
Rot. Bonds4

About 2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol (PubChem CID 137029500) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol
PubChem CID137029500
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol
SMILESCC(c1ccccc1)n1cnc(-c2cc(-c3ccccc3O)nnc2N)c1
InChIInChI=1S/C21H19N5O/c1-14(15-7-3-2-4-8-15)26-12-19(23-13-26)17-11-18(24-25-21(17)22)16-9-5-6-10-20(16)27/h2-14,27H,1H3,(H2,22,25)
InChIKeyRQWVMRVGMOGIBX-UHFFFAOYSA-N
XLogP3.90
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Crt 0066101
CID 136189563
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
2-{3-[(2,6-Dimethylphenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol
CID 15990343
2-Methyl-5-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9794758
2-Methyl-5-(5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9859850
2-Methyl-5-(6-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 10131256
3-(7-Amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11188787
4-[(6-Phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
CID 11381132
4-(7-Amino-3-(3-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11574885

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol (CID 137029500) is 2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol is CC(c1ccccc1)n1cnc(-c2cc(-c3ccccc3O)nnc2N)c1.
What is the InChIKey of 2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol?
The InChIKey is RQWVMRVGMOGIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14(15-7-3-2-4-8-15)26-12-19(23-13-26)17-11-18(24-25-21(17)22)16-9-5-6-10-20(16)27/h2-14,27H,1H3,(H2,22,25).
What are the key properties of 2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol has a molecular weight of 357.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[1-(1-phenylethyl)imidazol-4-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).