6-(aminomethyl)-2-cyclohexylpyridazin-3-one

C11H17N3O — CID 82507350

IUPAC6-(aminomethyl)-2-cyclohexylpyridazin-3-one
SMILESNCc1ccc(=O)n(C2CCCCC2)n1
InChIInChI=1S/C11H17N3O/c12-8-9-6-7-11(15)14(13-9)10-4-2-1-3-5-10/h6-7,10H,1-5,8,12H2
InChIKeyMGTPVGHMVIHJRR-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.21
Rot. Bonds2

About 6-(aminomethyl)-2-cyclohexylpyridazin-3-one

6-(aminomethyl)-2-cyclohexylpyridazin-3-one (PubChem CID 82507350) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-(aminomethyl)-2-cyclohexylpyridazin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-cyclohexylpyridazin-3-one
PubChem CID82507350
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name6-(aminomethyl)-2-cyclohexylpyridazin-3-one
SMILESNCc1ccc(=O)n(C2CCCCC2)n1
InChIInChI=1S/C11H17N3O/c12-8-9-6-7-11(15)14(13-9)10-4-2-1-3-5-10/h6-7,10H,1-5,8,12H2
InChIKeyMGTPVGHMVIHJRR-UHFFFAOYSA-N
XLogP1.21
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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6-bromo-2-cyclopropylpyridazin-3-one
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(1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine
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2-(2-cyclopentylpyrazol-3-yl)propan-1-amine
CID 83878565
2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 22629184
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide
CID 90555420
4-(aminomethyl)-1-cyclopentylpyrazole-3,5-diamine
CID 117123271
(2-cycloheptyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanamine
CID 105493701
[1,5-di(cyclobutyl)triazol-4-yl]methanamine
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5-(chloromethyl)-1-cyclohexylpyrazole
CID 138987728
(1-cyclopentyl-1,2,4-triazol-3-yl)methanamine
CID 62952024

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-cyclohexylpyridazin-3-one?
The IUPAC name of 6-(aminomethyl)-2-cyclohexylpyridazin-3-one (CID 82507350) is 6-(aminomethyl)-2-cyclohexylpyridazin-3-one.
What is the SMILES notation for 6-(aminomethyl)-2-cyclohexylpyridazin-3-one?
The canonical SMILES for 6-(aminomethyl)-2-cyclohexylpyridazin-3-one is NCc1ccc(=O)n(C2CCCCC2)n1.
What is the InChIKey of 6-(aminomethyl)-2-cyclohexylpyridazin-3-one?
The InChIKey is MGTPVGHMVIHJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-8-9-6-7-11(15)14(13-9)10-4-2-1-3-5-10/h6-7,10H,1-5,8,12H2.
What are the key properties of 6-(aminomethyl)-2-cyclohexylpyridazin-3-one?
6-(aminomethyl)-2-cyclohexylpyridazin-3-one has a molecular weight of 207.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-cyclohexylpyridazin-3-one is sourced from PubChem (CID 82507350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).