6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine

C16H18ClN5 — CID 164578489

IUPAC6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine
SMILESNc1nnc(Cl)cc1N1CC2CCC(C1)N2c1ccccc1
InChIInChI=1S/C16H18ClN5/c17-15-8-14(16(18)20-19-15)21-9-12-6-7-13(10-21)22(12)11-4-2-1-3-5-11/h1-5,8,12-13H,6-7,9-10H2,(H2,18,20)
InChIKeySOCNHDVPABFTRW-UHFFFAOYSA-N
MW315.81 g/mol
LogP2.57
Rot. Bonds2

About 6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine

6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine (PubChem CID 164578489) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is 6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine
PubChem CID164578489
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC Name6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine
SMILESNc1nnc(Cl)cc1N1CC2CCC(C1)N2c1ccccc1
InChIInChI=1S/C16H18ClN5/c17-15-8-14(16(18)20-19-15)21-9-12-6-7-13(10-21)22(12)11-4-2-1-3-5-11/h1-5,8,12-13H,6-7,9-10H2,(H2,18,20)
InChIKeySOCNHDVPABFTRW-UHFFFAOYSA-N
XLogP2.57
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine with MolForge

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Related Compounds

benzyl 4-[3-[(1R,5S)-3-(3-amino-6-chloropyridazin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-N-methylanilino]piperidine-1-carboxylate
CID 170625195
benzyl 4-[2-[3-(3-amino-6-chloropyridazin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrimidin-5-yl]piperazine-1-carboxylate
CID 170625819
2-[6-amino-5-[8-(4-fluorophenyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
CID 137029391
6-chloro-4-[8-[3-(2,2-dimethoxy-7-azaspiro[3.5]nonan-7-yl)-4-fluorophenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-amine
CID 176563525
[4-[3-[(1S,5R)-7-(3-amino-6-chloropyridazin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]phenoxy]piperidin-1-yl] benzoate
CID 174364516
2-[6-amino-5-[8-(5-fluoro-3-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
CID 137277875
2-[6-amino-5-[8-(3-pyridin-4-yloxyphenyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
CID 164578500
benzyl 4-[2-[[4-[3-(3-amino-6-chloropyridazin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[[4-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-pyridinyl]oxy]ethyl]piperazine-1-carboxylate;4-bromo-6-chloropyridazin-3-amine
CID 167712823
3-[4-(3-amino-6-chloropyridazin-4-yl)piperazin-1-yl]benzoic acid
CID 166643499
2-[6-amino-5-[(1S,5R)-8-[3-(piperidin-4-ylamino)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
CID 170624837
benzyl 4-[[3-[(1S,5R)-3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenyl]methyl]piperazine-1-carboxylate
CID 170625891
6-chloro-4-piperidin-1-ylpyridazin-3-amine
CID 122508018

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine?
The IUPAC name of 6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine (CID 164578489) is 6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine is Nc1nnc(Cl)cc1N1CC2CCC(C1)N2c1ccccc1.
What is the InChIKey of 6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine?
The InChIKey is SOCNHDVPABFTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5/c17-15-8-14(16(18)20-19-15)21-9-12-6-7-13(10-21)22(12)11-4-2-1-3-5-11/h1-5,8,12-13H,6-7,9-10H2,(H2,18,20).
What are the key properties of 6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine?
6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine has a molecular weight of 315.81 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 164578489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).