4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine

C12H15N5 — CID 80507616

IUPAC4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine
SMILESCN(Cc1cccnc1)c1nnccc1CN
InChIInChI=1S/C12H15N5/c1-17(9-10-3-2-5-14-8-10)12-11(7-13)4-6-15-16-12/h2-6,8H,7,9,13H2,1H3
InChIKeyQOKKKEOLGHVLKU-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.97
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine

4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine (PubChem CID 80507616) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine
PubChem CID80507616
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine
SMILESCN(Cc1cccnc1)c1nnccc1CN
InChIInChI=1S/C12H15N5/c1-17(9-10-3-2-5-14-8-10)12-11(7-13)4-6-15-16-12/h2-6,8H,7,9,13H2,1H3
InChIKeyQOKKKEOLGHVLKU-UHFFFAOYSA-N
XLogP0.97
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine
CID 80507368
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine
CID 80508839
4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine
CID 80507438
4-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine
CID 80507638
4-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyridazin-3-amine
CID 80507508
4-(aminomethyl)-N-(cyclopropylmethyl)-N-methylpyridazin-3-amine
CID 80507556
5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 83186045
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)pyridazin-3-amine
CID 80507390
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
2-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbothioamide
CID 43563703
4-(aminomethyl)-N-methyl-N-(3-methylbutyl)pyridazin-3-amine
CID 80509129
2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 112709140

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine (CID 80507616) is 4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine is CN(Cc1cccnc1)c1nnccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine?
The InChIKey is QOKKKEOLGHVLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-17(9-10-3-2-5-14-8-10)12-11(7-13)4-6-15-16-12/h2-6,8H,7,9,13H2,1H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine?
4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine has a molecular weight of 229.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 80507616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).