N-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine

C17H21N3O3 — CID 90287937

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine
SMILESCOc1ccc(CNc2cc(C3CCOC3)cnn2)c(OC)c1
InChIInChI=1S/C17H21N3O3/c1-21-15-4-3-12(16(8-15)22-2)9-18-17-7-14(10-19-20-17)13-5-6-23-11-13/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,18,20)
InChIKeyLLRUGCGCOJLKTN-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.61
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine

N-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine (PubChem CID 90287937) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine
PubChem CID90287937
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine
SMILESCOc1ccc(CNc2cc(C3CCOC3)cnn2)c(OC)c1
InChIInChI=1S/C17H21N3O3/c1-21-15-4-3-12(16(8-15)22-2)9-18-17-7-14(10-19-20-17)13-5-6-23-11-13/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,18,20)
InChIKeyLLRUGCGCOJLKTN-UHFFFAOYSA-N
XLogP2.61
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 171705218
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769004
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 118510223
4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439514
4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439515
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
3-N-(2,4-dimethoxyphenyl)-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112947973
5-N-(2,4-dimethoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950973
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine (CID 90287937) is N-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine is COc1ccc(CNc2cc(C3CCOC3)cnn2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine?
The InChIKey is LLRUGCGCOJLKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-21-15-4-3-12(16(8-15)22-2)9-18-17-7-14(10-19-20-17)13-5-6-23-11-13/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,18,20).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine?
N-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine has a molecular weight of 315.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-5-(oxolan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 90287937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).