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

C19H24N6 — CID 95243924

IUPACN-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NC[C@@H]3CCCN(Cc4ccccc4)C3)nn12
InChIInChI=1S/C19H24N6/c1-15-21-22-19-10-9-18(23-25(15)19)20-12-17-8-5-11-24(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyYIGDWKNKWGKZBB-KRWDZBQOSA-N
MW336.44 g/mol
LogP2.76
Rot. Bonds5

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

N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 95243924) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID95243924
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NC[C@@H]3CCCN(Cc4ccccc4)C3)nn12
InChIInChI=1S/C19H24N6/c1-15-21-22-19-10-9-18(23-25(15)19)20-12-17-8-5-11-24(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyYIGDWKNKWGKZBB-KRWDZBQOSA-N
XLogP2.76
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

3-cyclopropyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294585
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid
CID 71766726
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]thian-4-amine
CID 95143520
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 52744781
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
5-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 154757683
N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine
CID 166362988
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95160951

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 95243924) is N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(NC[C@@H]3CCCN(Cc4ccccc4)C3)nn12.
What is the InChIKey of N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is YIGDWKNKWGKZBB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N6/c1-15-21-22-19-10-9-18(23-25(15)19)20-12-17-8-5-11-24(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 336.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 95243924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).