2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol

C19H23N7O — CID 137029561

IUPAC2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol
SMILESCn1ccnc1CN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C19H23N7O/c1-24-7-6-21-18(24)13-25-8-10-26(11-9-25)16-12-15(22-23-19(16)20)14-4-2-3-5-17(14)27/h2-7,12,27H,8-11,13H2,1H3,(H2,20,23)
InChIKeyNLNFRPIGZCNAFV-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.49
Rot. Bonds4

About 2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol (PubChem CID 137029561) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol
PubChem CID137029561
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol
SMILESCn1ccnc1CN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C19H23N7O/c1-24-7-6-21-18(24)13-25-8-10-26(11-9-25)16-12-15(22-23-19(16)20)14-4-2-3-5-17(14)27/h2-7,12,27H,8-11,13H2,1H3,(H2,20,23)
InChIKeyNLNFRPIGZCNAFV-UHFFFAOYSA-N
XLogP1.49
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Crt 0066101
CID 136189563
3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino)-5-(2-isopropyl-2H-tetrazol-5-yl)phenol
CID 118009188
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157
[4-(3-Hydroxy-4-methyl-phenylamino)-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]-carbamic acid 3-piperidin-1-yl-propyl ester
CID 44389975
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
4-fluoro-5-imidazol-1-yl-2-[6-[[(1R,3S,5S)-1-(methoxymethyl)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]phenol
CID 162650904
4-fluoro-5-imidazol-1-yl-2-[6-[[(1S,3R,5R)-1-(methoxymethyl)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]phenol
CID 162657189
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol (CID 137029561) is 2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol is Cn1ccnc1CN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
The InChIKey is NLNFRPIGZCNAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-24-7-6-21-18(24)13-25-8-10-26(11-9-25)16-12-15(22-23-19(16)20)14-4-2-3-5-17(14)27/h2-7,12,27H,8-11,13H2,1H3,(H2,20,23).
What are the key properties of 2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol has a molecular weight of 365.44 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).