N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H18N6 — CID 136545963

IUPACN-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3nncn3n2)C1c1ccccc1
InChIInChI=1S/C16H18N6/c1-21-10-9-13(16(21)12-5-3-2-4-6-12)18-14-7-8-15-19-17-11-22(15)20-14/h2-8,11,13,16H,9-10H2,1H3,(H,18,20)
InChIKeyFOIPMNMDMZIAGT-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.98
Rot. Bonds3

About N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 136545963) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID136545963
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC NameN-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3nncn3n2)C1c1ccccc1
InChIInChI=1S/C16H18N6/c1-21-10-9-13(16(21)12-5-3-2-4-6-12)18-14-7-8-15-19-17-11-22(15)20-14/h2-8,11,13,16H,9-10H2,1H3,(H,18,20)
InChIKeyFOIPMNMDMZIAGT-UHFFFAOYSA-N
XLogP1.98
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 136545963) is N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CN1CCC(Nc2ccc3nncn3n2)C1c1ccccc1.
What is the InChIKey of N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FOIPMNMDMZIAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-21-10-9-13(16(21)12-5-3-2-4-6-12)18-14-7-8-15-19-17-11-22(15)20-14/h2-8,11,13,16H,9-10H2,1H3,(H,18,20).
What are the key properties of N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 294.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 136545963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).