2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine

C9H15N3O — CID 106895779

IUPAC2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
SMILESCOC(C)CNCc1cccnn1
InChIInChI=1S/C9H15N3O/c1-8(13-2)6-10-7-9-4-3-5-11-12-9/h3-5,8,10H,6-7H2,1-2H3
InChIKeyMDVZPWXORISLEF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.60
Rot. Bonds5

About 2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine

2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine (PubChem CID 106895779) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
PubChem CID106895779
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
SMILESCOC(C)CNCc1cccnn1
InChIInChI=1S/C9H15N3O/c1-8(13-2)6-10-7-9-4-3-5-11-12-9/h3-5,8,10H,6-7H2,1-2H3
InChIKeyMDVZPWXORISLEF-UHFFFAOYSA-N
XLogP0.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid
CID 106895586
2-methyl-3-(pyridazin-3-ylmethylamino)propanamide
CID 106895597
4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895756
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895038
3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895342
N-benzyl-2-methoxypropan-1-amine
CID 58887986
3-(2,2-dimethoxyethyl)pyridazine
CID 175308246
tert-butyl N-[3-methyl-2-[(pyridazin-3-ylmethylamino)methyl]butyl]carbamate
CID 107442905
1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895894
2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895861
1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895709
N-(pyridazin-3-ylmethyl)formamide
CID 23498776

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine (CID 106895779) is 2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine is COC(C)CNCc1cccnn1.
What is the InChIKey of 2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine?
The InChIKey is MDVZPWXORISLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(13-2)6-10-7-9-4-3-5-11-12-9/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of 2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine?
2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine has a molecular weight of 181.24 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106895779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).