N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine

C18H23N7 — CID 95632240

IUPACN-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESC[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)c1ccc2nnnn2n1
InChIInChI=1S/C18H23N7/c1-14-12-24(13-15-6-4-3-5-7-15)11-10-16(14)23(2)18-9-8-17-19-21-22-25(17)20-18/h3-9,14,16H,10-13H2,1-2H3/t14-,16-/m0/s1
InChIKeyXKSWMTFREFVELE-HOCLYGCPSA-N
MW337.43 g/mol
LogP1.87
Rot. Bonds4

About N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine

N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 95632240) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
PubChem CID95632240
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC NameN-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESC[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)c1ccc2nnnn2n1
InChIInChI=1S/C18H23N7/c1-14-12-24(13-15-6-4-3-5-7-15)11-10-16(14)23(2)18-9-8-17-19-21-22-25(17)20-18/h3-9,14,16H,10-13H2,1-2H3/t14-,16-/m0/s1
InChIKeyXKSWMTFREFVELE-HOCLYGCPSA-N
XLogP1.87
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine with MolForge

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Related Compounds

1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 96560100
(3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine
CID 99606871
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
CID 125145982
(3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one
CID 95620506
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide
CID 100624175
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
CID 124730164
1-benzyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N,3-dimethylpiperidin-4-amine
CID 75470893
1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-prop-2-ynylurea
CID 71848262
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-prop-2-ynylurea
CID 96542989

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (CID 95632240) is N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)c1ccc2nnnn2n1.
What is the InChIKey of N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is XKSWMTFREFVELE-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H23N7/c1-14-12-24(13-15-6-4-3-5-7-15)11-10-16(14)23(2)18-9-8-17-19-21-22-25(17)20-18/h3-9,14,16H,10-13H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 337.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 95632240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).