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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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).