N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine

C17H19N3O3 — CID 162633091

IUPACN-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine
SMILESCOc1cc2c(cc1-c1ccc(NC3CCCC3)nn1)OCO2
InChIInChI=1S/C17H19N3O3/c1-21-14-9-16-15(22-10-23-16)8-12(14)13-6-7-17(20-19-13)18-11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,18,20)
InChIKeyHUQTWFBGZFYLFH-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.24
Rot. Bonds4

About N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine

N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine (PubChem CID 162633091) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine
PubChem CID162633091
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine
SMILESCOc1cc2c(cc1-c1ccc(NC3CCCC3)nn1)OCO2
InChIInChI=1S/C17H19N3O3/c1-21-14-9-16-15(22-10-23-16)8-12(14)13-6-7-17(20-19-13)18-11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,18,20)
InChIKeyHUQTWFBGZFYLFH-UHFFFAOYSA-N
XLogP3.24
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine
CID 74249111
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113038853
6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109112205
5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 163307237
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941956
6-(2-methoxyphenyl)-N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]pyridazin-3-amine
CID 95463644
N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide
CID 113044384
N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113010066
N-cyclopentyl-6-[4-[1-(dimethylamino)ethyl]phenyl]pyridazin-3-amine
CID 74248315
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexylpyrimidine-4,6-diamine
CID 112856206
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860350
N-cyclopentyl-6,7-dimethoxyquinoxalin-2-amine
CID 22573167

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine?
The IUPAC name of N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine (CID 162633091) is N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine.
What is the SMILES notation for N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine?
The canonical SMILES for N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine is COc1cc2c(cc1-c1ccc(NC3CCCC3)nn1)OCO2.
What is the InChIKey of N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine?
The InChIKey is HUQTWFBGZFYLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-21-14-9-16-15(22-10-23-16)8-12(14)13-6-7-17(20-19-13)18-11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,18,20).
What are the key properties of N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine?
N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine has a molecular weight of 313.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine is sourced from PubChem (CID 162633091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).