4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine

C16H22N4 — CID 61098823

IUPAC4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine
SMILESCc1ccc(CN(C)c2nnc(C)c(C)c2CN)cc1
InChIInChI=1S/C16H22N4/c1-11-5-7-14(8-6-11)10-20(4)16-15(9-17)12(2)13(3)18-19-16/h5-8H,9-10,17H2,1-4H3
InChIKeyKAQVEQBWHMKEFB-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.50
Rot. Bonds4

About 4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine

4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine (PubChem CID 61098823) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine
PubChem CID61098823
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine
SMILESCc1ccc(CN(C)c2nnc(C)c(C)c2CN)cc1
InChIInChI=1S/C16H22N4/c1-11-5-7-14(8-6-11)10-20(4)16-15(9-17)12(2)13(3)18-19-16/h5-8H,9-10,17H2,1-4H3
InChIKeyKAQVEQBWHMKEFB-UHFFFAOYSA-N
XLogP2.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61419921
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61420063
4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine
CID 62003302
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine
CID 80507368
4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 79470373
4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(pyridin-4-ylmethyl)pyridazin-3-amine
CID 61447677
4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine
CID 61096421
1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol
CID 79384857
4-(aminomethyl)-N,5,6-trimethyl-N-[(2-methylcyclopropyl)methyl]pyridazin-3-amine
CID 63878876
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80765009
4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine
CID 55011993
N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60875525

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine (CID 61098823) is 4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine is Cc1ccc(CN(C)c2nnc(C)c(C)c2CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine?
The InChIKey is KAQVEQBWHMKEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-5-7-14(8-6-11)10-20(4)16-15(9-17)12(2)13(3)18-19-16/h5-8H,9-10,17H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine?
4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine has a molecular weight of 270.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 61098823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).