N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine

C14H18N4O — CID 103374852

IUPACN-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)c1ccc(OC)nn1
InChIInChI=1S/C14H18N4O/c1-3-8-16-14(11-5-4-9-15-10-11)12-6-7-13(19-2)18-17-12/h4-7,9-10,14,16H,3,8H2,1-2H3
InChIKeyNBJBOYRYIZYNQV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.97
Rot. Bonds6

About N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine

N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine (PubChem CID 103374852) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine
PubChem CID103374852
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)c1ccc(OC)nn1
InChIInChI=1S/C14H18N4O/c1-3-8-16-14(11-5-4-9-15-10-11)12-6-7-13(19-2)18-17-12/h4-7,9-10,14,16H,3,8H2,1-2H3
InChIKeyNBJBOYRYIZYNQV-UHFFFAOYSA-N
XLogP1.97
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxypyrimidin-4-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 102952423
N-[1-(6-methoxypyridazin-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 103374712
N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374829
N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43494512
N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43495177
N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374736
N-[(4-methoxy-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374801
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374840
N-[(6-methoxypyridazin-3-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 103374682
3-[(6-methoxypyridazin-3-yl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 103374843
N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 103374514

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine (CID 103374852) is N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine is CCCNC(c1cccnc1)c1ccc(OC)nn1.
What is the InChIKey of N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine?
The InChIKey is NBJBOYRYIZYNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-8-16-14(11-5-4-9-15-10-11)12-6-7-13(19-2)18-17-12/h4-7,9-10,14,16H,3,8H2,1-2H3.
What are the key properties of N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine?
N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine has a molecular weight of 258.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 103374852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).