1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine

C22H27Cl3N8O2 — CID 167670388

IUPAC1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine
SMILESCC(C)(O)CN.CC(C)(O)CNc1nnc(Cl)c2ccncc12.Clc1nnc(Cl)c2cnccc12
InChIInChI=1S/C11H13ClN4O.C7H3Cl2N3.C4H11NO/c1-11(2,17)6-14-10-8-5-13-4-3-7(8)9(12)15-16-10;8-6-4-1-2-10-3-5(4)7(9)12-11-6;1-4(2,6)3-5/h3-5,17H,6H2,1-2H3,(H,14,16);1-3H;6H,3,5H2,1-2H3
InChIKeyUAACENUHRNAWQX-UHFFFAOYSA-N
MW541.87 g/mol
LogP3.91
Rot. Bonds4

About 1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine

1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine (PubChem CID 167670388) has the molecular formula C22H27Cl3N8O2 and a molecular weight of 541.87 g/mol. Its IUPAC name is 1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine
PubChem CID167670388
Molecular FormulaC22H27Cl3N8O2
Molecular Weight541.87 g/mol
Exact Mass540.13
IUPAC Name1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine
SMILESCC(C)(O)CN.CC(C)(O)CNc1nnc(Cl)c2ccncc12.Clc1nnc(Cl)c2cnccc12
InChIInChI=1S/C11H13ClN4O.C7H3Cl2N3.C4H11NO/c1-11(2,17)6-14-10-8-5-13-4-3-7(8)9(12)15-16-10;8-6-4-1-2-10-3-5(4)7(9)12-11-6;1-4(2,6)3-5/h3-5,17H,6H2,1-2H3,(H,14,16);1-3H;6H,3,5H2,1-2H3
InChIKeyUAACENUHRNAWQX-UHFFFAOYSA-N
XLogP3.91
TPSA155.85 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.87
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine with MolForge

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Related Compounds

tert-butyl (3R,5R)-3-[(4-chloropyrido[3,4-d]pyridazin-1-yl)amino]-5-fluoropiperidine-1-carboxylate
CID 169230209
tert-butyl (3R,5R)-3-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-5-fluoropiperidine-1-carboxylate
CID 169230213
1-chloro-N-[(3S,5S)-5-fluoro-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 169230287
1-chloro-N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 169230500
1-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)pyrido[3,4-d]pyridazin-4-amine
CID 170164847
1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 170165910
(S)-(4-(1-chloropyrido[3,4-d]pyridazin-4-yl)-2-methylpiperazin-1-yl)(piperidin-1-yl)methanone
CID 57657606
(S)-1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine
CID 57657608
(R)-1-chloro-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine
CID 57657623
1-Chloro-4-(2,5-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine
CID 57657627
[4-(1-Chloropyrido[3,4-d]pyridazin-4-yl)-2-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 76585156
1-Chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine
CID 76585157

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine?
The IUPAC name of 1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine (CID 167670388) is 1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine.
What is the SMILES notation for 1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine?
The canonical SMILES for 1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine is CC(C)(O)CN.CC(C)(O)CNc1nnc(Cl)c2ccncc12.Clc1nnc(Cl)c2cnccc12.
What is the InChIKey of 1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine?
The InChIKey is UAACENUHRNAWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O.C7H3Cl2N3.C4H11NO/c1-11(2,17)6-14-10-8-5-13-4-3-7(8)9(12)15-16-10;8-6-4-1-2-10-3-5(4)7(9)12-11-6;1-4(2,6)3-5/h3-5,17H,6H2,1-2H3,(H,14,16);1-3H;6H,3,5H2,1-2H3.
What are the key properties of 1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine?
1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine has a molecular weight of 541.87 g/mol, XLogP of 3.91, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylpropan-2-ol;1-[(1-chloropyrido[3,4-d]pyridazin-4-yl)amino]-2-methylpropan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine is sourced from PubChem (CID 167670388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).