1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol

C20H31N5O3 — CID 10023248

IUPAC1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol
SMILESCCCc1ccccc1OCC(O)CNC(C)(C)COc1ccc(NN)nn1
InChIInChI=1S/C20H31N5O3/c1-4-7-15-8-5-6-9-17(15)27-13-16(26)12-22-20(2,3)14-28-19-11-10-18(23-21)24-25-19/h5-6,8-11,16,22,26H,4,7,12-14,21H2,1-3H3,(H,23,24)
InChIKeyMHIRMNFFCSFICW-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.90
Rot. Bonds12

About 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol

1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol (PubChem CID 10023248) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol
PubChem CID10023248
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol
SMILESCCCc1ccccc1OCC(O)CNC(C)(C)COc1ccc(NN)nn1
InChIInChI=1S/C20H31N5O3/c1-4-7-15-8-5-6-9-17(15)27-13-16(26)12-22-20(2,3)14-28-19-11-10-18(23-21)24-25-19/h5-6,8-11,16,22,26H,4,7,12-14,21H2,1-3H3,(H,23,24)
InChIKeyMHIRMNFFCSFICW-UHFFFAOYSA-N
XLogP1.90
TPSA114.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 13288281
1-[2-chloro-4-(2-methoxyethyl)phenoxy]-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 70447903
1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride
CID 13288277
4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol
CID 21312383
1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 13288296
1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol
CID 54084381
1-[[2-methyl-1-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-yl]amino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 54381109
1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2,5-dichlorophenoxy)propan-2-ol
CID 10047785
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 70560397
3-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropoxy]-1H-pyridazine-6-thione
CID 10000057
1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(3-ethylphenoxy)propan-2-ol
CID 88688024

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol?
The IUPAC name of 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol (CID 10023248) is 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol?
The canonical SMILES for 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol is CCCc1ccccc1OCC(O)CNC(C)(C)COc1ccc(NN)nn1.
What is the InChIKey of 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol?
The InChIKey is MHIRMNFFCSFICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-4-7-15-8-5-6-9-17(15)27-13-16(26)12-22-20(2,3)14-28-19-11-10-18(23-21)24-25-19/h5-6,8-11,16,22,26H,4,7,12-14,21H2,1-3H3,(H,23,24).
What are the key properties of 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol?
1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol has a molecular weight of 389.50 g/mol, XLogP of 1.90, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol is sourced from PubChem (CID 10023248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).