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

C16H22N4O — CID 61419921

IUPAC4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
SMILESCOc1ccc(CN(C)c2nnc(C)c(C)c2CN)cc1
InChIInChI=1S/C16H22N4O/c1-11-12(2)18-19-16(15(11)9-17)20(3)10-13-5-7-14(21-4)8-6-13/h5-8H,9-10,17H2,1-4H3
InChIKeyUQJYFWQRILYHQC-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.20
Rot. Bonds5

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

4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine (PubChem CID 61419921) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
PubChem CID61419921
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
SMILESCOc1ccc(CN(C)c2nnc(C)c(C)c2CN)cc1
InChIInChI=1S/C16H22N4O/c1-11-12(2)18-19-16(15(11)9-17)20(3)10-13-5-7-14(21-4)8-6-13/h5-8H,9-10,17H2,1-4H3
InChIKeyUQJYFWQRILYHQC-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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Related Compounds

4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine
CID 61098823
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61420063
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine
CID 61419922
[3-[(4-methoxyphenyl)methoxy]-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096426
N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 165435267
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine
CID 80508911
4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine
CID 62003302
4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80794484
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541718
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992
4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(pyridin-4-ylmethyl)pyridazin-3-amine
CID 61447677

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine (CID 61419921) is 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine is COc1ccc(CN(C)c2nnc(C)c(C)c2CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine?
The InChIKey is UQJYFWQRILYHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-12(2)18-19-16(15(11)9-17)20(3)10-13-5-7-14(21-4)8-6-13/h5-8H,9-10,17H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine?
4-(aminomethyl)-N-[(4-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-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine is sourced from PubChem (CID 61419921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).