4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine

C16H22N4O — CID 61420063

IUPAC4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
SMILESCOc1cccc(CN(C)c2nnc(C)c(C)c2CN)c1
InChIInChI=1S/C16H22N4O/c1-11-12(2)18-19-16(15(11)9-17)20(3)10-13-6-5-7-14(8-13)21-4/h5-8H,9-10,17H2,1-4H3
InChIKeyOYUNNGLXRFJICA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.20
Rot. Bonds5

About 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine

4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine (PubChem CID 61420063) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
PubChem CID61420063
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
SMILESCOc1cccc(CN(C)c2nnc(C)c(C)c2CN)c1
InChIInChI=1S/C16H22N4O/c1-11-12(2)18-19-16(15(11)9-17)20(3)10-13-6-5-7-14(8-13)21-4/h5-8H,9-10,17H2,1-4H3
InChIKeyOYUNNGLXRFJICA-UHFFFAOYSA-N
XLogP2.20
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine (CID 61420063) is 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine is COc1cccc(CN(C)c2nnc(C)c(C)c2CN)c1.
What is the InChIKey of 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine?
The InChIKey is OYUNNGLXRFJICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-12(2)18-19-16(15(11)9-17)20(3)10-13-6-5-7-14(8-13)21-4/h5-8H,9-10,17H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine?
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine is sourced from PubChem (CID 61420063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).