5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one

C16H24N6O — CID 56898058

IUPAC5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one
SMILESCc1cnn(CCCn2ncc(N3CCC(CN)C3)cc2=O)c1
InChIInChI=1S/C16H24N6O/c1-13-9-18-21(11-13)4-2-5-22-16(23)7-15(10-19-22)20-6-3-14(8-17)12-20/h7,9-11,14H,2-6,8,12,17H2,1H3
InChIKeyQNYONDUGHOZTTF-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.62
Rot. Bonds6

About 5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one

5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one (PubChem CID 56898058) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one
PubChem CID56898058
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one
SMILESCc1cnn(CCCn2ncc(N3CCC(CN)C3)cc2=O)c1
InChIInChI=1S/C16H24N6O/c1-13-9-18-21(11-13)4-2-5-22-16(23)7-15(10-19-22)20-6-3-14(8-17)12-20/h7,9-11,14H,2-6,8,12,17H2,1H3
InChIKeyQNYONDUGHOZTTF-UHFFFAOYSA-N
XLogP0.62
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one?
The IUPAC name of 5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one (CID 56898058) is 5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one.
What is the SMILES notation for 5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one?
The canonical SMILES for 5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one is Cc1cnn(CCCn2ncc(N3CCC(CN)C3)cc2=O)c1.
What is the InChIKey of 5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one?
The InChIKey is QNYONDUGHOZTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-13-9-18-21(11-13)4-2-5-22-16(23)7-15(10-19-22)20-6-3-14(8-17)12-20/h7,9-11,14H,2-6,8,12,17H2,1H3.
What are the key properties of 5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one?
5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one has a molecular weight of 316.41 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one is sourced from PubChem (CID 56898058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).