1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine

C15H20N4O2 — CID 103374212

IUPAC1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2ccc(OC)nn2)c1
InChIInChI=1S/C15H20N4O2/c1-4-7-21-12-8-11(9-17-10-12)15(16-2)13-5-6-14(20-3)19-18-13/h5-6,8-10,15-16H,4,7H2,1-3H3
InChIKeyIZYNQWHRDWKCCM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.98
Rot. Bonds7

About 1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine

1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine (PubChem CID 103374212) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
PubChem CID103374212
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2ccc(OC)nn2)c1
InChIInChI=1S/C15H20N4O2/c1-4-7-21-12-8-11(9-17-10-12)15(16-2)13-5-6-14(20-3)19-18-13/h5-6,8-10,15-16H,4,7H2,1-3H3
InChIKeyIZYNQWHRDWKCCM-UHFFFAOYSA-N
XLogP1.98
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-ethoxy-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374323
1-(6-methoxypyridazin-3-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 103374186
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
1-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374118
1-(6-methoxypyridazin-3-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 103374160
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175626
1-(5-chlorothiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026778
N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine
CID 105175758
1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026983

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine (CID 103374212) is 1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine is CCCOc1cncc(C(NC)c2ccc(OC)nn2)c1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The InChIKey is IZYNQWHRDWKCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-7-21-12-8-11(9-17-10-12)15(16-2)13-5-6-14(20-3)19-18-13/h5-6,8-10,15-16H,4,7H2,1-3H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine has a molecular weight of 288.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 103374212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).