N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine

C17H17N5O2 — CID 56743334

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine
SMILESCn1ccnc1-c1ccc(NCC2COc3ccccc3O2)nn1
InChIInChI=1S/C17H17N5O2/c1-22-9-8-18-17(22)13-6-7-16(21-20-13)19-10-12-11-23-14-4-2-3-5-15(14)24-12/h2-9,12H,10-11H2,1H3,(H,19,21)
InChIKeyFJSUPHWOAQPWOT-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.13
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine (PubChem CID 56743334) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine
PubChem CID56743334
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine
SMILESCn1ccnc1-c1ccc(NCC2COc3ccccc3O2)nn1
InChIInChI=1S/C17H17N5O2/c1-22-9-8-18-17(22)13-6-7-16(21-20-13)19-10-12-11-23-14-4-2-3-5-15(14)24-12/h2-9,12H,10-11H2,1H3,(H,19,21)
InChIKeyFJSUPHWOAQPWOT-UHFFFAOYSA-N
XLogP2.13
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidin-2-amine
CID 3403878
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 166196115
(2S)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 30606582
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine
CID 61311188
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one
CID 22969753
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36510169
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 51936367
6-(1-methylimidazol-2-yl)-N-(2-pyridin-3-yloxypropyl)pyridazin-3-amine
CID 56739047
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 97192688
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine
CID 17459236
6-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2161417
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2998477

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine (CID 56743334) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine is Cn1ccnc1-c1ccc(NCC2COc3ccccc3O2)nn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
The InChIKey is FJSUPHWOAQPWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-22-9-8-18-17(22)13-6-7-16(21-20-13)19-10-12-11-23-14-4-2-3-5-15(14)24-12/h2-9,12H,10-11H2,1H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine has a molecular weight of 323.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine is sourced from PubChem (CID 56743334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).