[4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine

C16H20N6 — CID 141156493

IUPAC[4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine
SMILESCN1CC2CN(c3ccc(-c4ccc(NN)cc4)nn3)CC21
InChIInChI=1S/C16H20N6/c1-21-8-12-9-22(10-15(12)21)16-7-6-14(19-20-16)11-2-4-13(18-17)5-3-11/h2-7,12,15,18H,8-10,17H2,1H3
InChIKeyMYMMJAIRKROKNG-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.18
Rot. Bonds3

About [4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine

[4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine (PubChem CID 141156493) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is [4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine.

Molecular Properties

Compound Name[4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine
PubChem CID141156493
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name[4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine
SMILESCN1CC2CN(c3ccc(-c4ccc(NN)cc4)nn3)CC21
InChIInChI=1S/C16H20N6/c1-21-8-12-9-22(10-15(12)21)16-7-6-14(19-20-16)11-2-4-13(18-17)5-3-11/h2-7,12,15,18H,8-10,17H2,1H3
InChIKeyMYMMJAIRKROKNG-UHFFFAOYSA-N
XLogP1.18
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1S,5S)-3-[6-(4-bromophenyl)pyridazin-3-yl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane;4-methylbenzenesulfonic acid
CID 159203340
4-methylbenzenesulfonic acid;8-methyl-3-(6-phenylpyridazin-3-yl)-3,8-diazabicyclo[4.2.0]octane
CID 87292824
2-methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrochloride
CID 67162119
4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole
CID 123362451
3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol
CID 56670530
5,5-dimethyl-2-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium iodide
CID 56667084
(E)-but-2-enedioic acid;3-[6-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole
CID 162339514
(5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane
CID 123603793
tert-butyl (1S,5R)-3-(6-phenylpyridazin-3-yl)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate
CID 86597317
N-[4-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenyl]methanesulfonamide;but-2-enedioic acid
CID 67162694
9-methyl-3-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-3,9-diazabicyclo[3.3.1]nonane
CID 16662417
3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 11572567

Frequently Asked Questions

What is the IUPAC name of [4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine?
The IUPAC name of [4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine (CID 141156493) is [4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine.
What is the SMILES notation for [4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine?
The canonical SMILES for [4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine is CN1CC2CN(c3ccc(-c4ccc(NN)cc4)nn3)CC21.
What is the InChIKey of [4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine?
The InChIKey is MYMMJAIRKROKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-21-8-12-9-22(10-15(12)21)16-7-6-14(19-20-16)11-2-4-13(18-17)5-3-11/h2-7,12,15,18H,8-10,17H2,1H3.
What are the key properties of [4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine?
[4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine has a molecular weight of 296.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine is sourced from PubChem (CID 141156493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).