N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C19H24N6 — CID 176506217

IUPACN-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NCCC2CCN(Cc3ccccc3)C2)c2nncn2n1
InChIInChI=1S/C19H24N6/c1-15-11-18(19-22-21-14-25(19)23-15)20-9-7-17-8-10-24(13-17)12-16-5-3-2-4-6-16/h2-6,11,14,17,20H,7-10,12-13H2,1H3
InChIKeyCGMMUFAAGYCUHZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.76
Rot. Bonds6

About N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 176506217) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID176506217
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NCCC2CCN(Cc3ccccc3)C2)c2nncn2n1
InChIInChI=1S/C19H24N6/c1-15-11-18(19-22-21-14-25(19)23-15)20-9-7-17-8-10-24(13-17)12-16-5-3-2-4-6-16/h2-6,11,14,17,20H,7-10,12-13H2,1H3
InChIKeyCGMMUFAAGYCUHZ-UHFFFAOYSA-N
XLogP2.76
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine with MolForge

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Related Compounds

N-[(3S)-1-benzylpiperidin-3-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176506855
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
CID 45228205
1-benzyl-3-propylpyrrolidine
CID 12648211
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56903299
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 99937090
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
1-benzyl-3-ethylpyrrolidine
CID 12648208
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95219752
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide
CID 124753121
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine
CID 10938587

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 176506217) is N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is Cc1cc(NCCC2CCN(Cc3ccccc3)C2)c2nncn2n1.
What is the InChIKey of N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is CGMMUFAAGYCUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-15-11-18(19-22-21-14-25(19)23-15)20-9-7-17-8-10-24(13-17)12-16-5-3-2-4-6-16/h2-6,11,14,17,20H,7-10,12-13H2,1H3.
What are the key properties of N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 336.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 176506217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).