4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine

C9H16N4O — CID 102694551

IUPAC4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine
SMILESCOC(C)CNc1nnccc1CN
InChIInChI=1S/C9H16N4O/c1-7(14-2)6-11-9-8(5-10)3-4-12-13-9/h3-4,7H,5-6,10H2,1-2H3,(H,11,13)
InChIKeyXEMPORSPSXCKEY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.38
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine

4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine (PubChem CID 102694551) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine
PubChem CID102694551
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine
SMILESCOC(C)CNc1nnccc1CN
InChIInChI=1S/C9H16N4O/c1-7(14-2)6-11-9-8(5-10)3-4-12-13-9/h3-4,7H,5-6,10H2,1-2H3,(H,11,13)
InChIKeyXEMPORSPSXCKEY-UHFFFAOYSA-N
XLogP0.38
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 80508850
4-(aminomethyl)-N-benzylpyridazin-3-amine
CID 14042752
[3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine
CID 80507730
4-(aminomethyl)-N-(2-methoxypropyl)aniline
CID 102694583
2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895779
5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine
CID 102694575
3-N-(2-methoxypropyl)pyridazine-3,6-diamine
CID 102701751
3-(ethylaminomethyl)-N-(2-methoxypropyl)pyridin-2-amine
CID 102700670
[3-(1-ethoxypropan-2-yloxy)pyridazin-4-yl]methanamine
CID 103486302
[3-(2-methoxyphenyl)sulfanylpyridazin-4-yl]methanamine
CID 80514839
4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline
CID 102694579
6-hydrazinyl-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102701988

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine (CID 102694551) is 4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine is COC(C)CNc1nnccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine?
The InChIKey is XEMPORSPSXCKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(14-2)6-11-9-8(5-10)3-4-12-13-9/h3-4,7H,5-6,10H2,1-2H3,(H,11,13).
What are the key properties of 4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine?
4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine is sourced from PubChem (CID 102694551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).