(5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane

C16H18N4 — CID 123603793

IUPAC(5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane
SMILESCN1CC2[C@H]1CCN2c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C16H18N4/c1-19-11-15-14(19)9-10-20(15)16-8-7-13(17-18-16)12-5-3-2-4-6-12/h2-8,14-15H,9-11H2,1H3/t14-,15?/m1/s1
InChIKeyAAZHHNHVJAIVEW-GICMACPYSA-N
MW266.35 g/mol
LogP2.04
Rot. Bonds2

About (5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane

(5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane (PubChem CID 123603793) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is (5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane
PubChem CID123603793
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name(5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane
SMILESCN1CC2[C@H]1CCN2c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C16H18N4/c1-19-11-15-14(19)9-10-20(15)16-8-7-13(17-18-16)12-5-3-2-4-6-12/h2-8,14-15H,9-11H2,1H3/t14-,15?/m1/s1
InChIKeyAAZHHNHVJAIVEW-GICMACPYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole
CID 108772733
N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
CID 46225105
(3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol
CID 162633912
8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50972828
5,5-dimethyl-2-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium iodide
CID 56667084
3-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyridazine
CID 29134956
[4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine
CID 141156493
3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108775200

Frequently Asked Questions

What is the IUPAC name of (5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of (5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane (CID 123603793) is (5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for (5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for (5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane is CN1CC2[C@H]1CCN2c1ccc(-c2ccccc2)nn1.
What is the InChIKey of (5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane?
The InChIKey is AAZHHNHVJAIVEW-GICMACPYSA-N. The full InChI is InChI=1S/C16H18N4/c1-19-11-15-14(19)9-10-20(15)16-8-7-13(17-18-16)12-5-3-2-4-6-12/h2-8,14-15H,9-11H2,1H3/t14-,15?/m1/s1.
What are the key properties of (5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane?
(5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane has a molecular weight of 266.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 123603793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).