N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

C17H21N7 — CID 133274813

IUPACN-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1ccc(CN2CCCCC2CNc2ccc3nnnn3n2)cc1
InChIInChI=1S/C17H21N7/c1-2-6-14(7-3-1)13-23-11-5-4-8-15(23)12-18-16-9-10-17-19-21-22-24(17)20-16/h1-3,6-7,9-10,15H,4-5,8,11-13H2,(H,18,20)
InChIKeyFSGULAYDACFIGD-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.99
Rot. Bonds5

About N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133274813) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133274813
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC NameN-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1ccc(CN2CCCCC2CNc2ccc3nnnn3n2)cc1
InChIInChI=1S/C17H21N7/c1-2-6-14(7-3-1)13-23-11-5-4-8-15(23)12-18-16-9-10-17-19-21-22-24(17)20-16/h1-3,6-7,9-10,15H,4-5,8,11-13H2,(H,18,20)
InChIKeyFSGULAYDACFIGD-UHFFFAOYSA-N
XLogP1.99
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-benzylpiperidin-2-yl)methylhydrazine
CID 53402111
5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 122047934
6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile
CID 133304440
[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133299300
1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine
CID 110920426
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 51928967
N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 94424858
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
5-[[1-[(3-chlorophenyl)methyl]piperidin-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 122053736
1-[(1-benzylpiperidin-2-yl)methyl]-2-methyl-3-propan-2-ylguanidine
CID 111127376
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 133274813) is N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is c1ccc(CN2CCCCC2CNc2ccc3nnnn3n2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is FSGULAYDACFIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-2-6-14(7-3-1)13-23-11-5-4-8-15(23)12-18-16-9-10-17-19-21-22-24(17)20-16/h1-3,6-7,9-10,15H,4-5,8,11-13H2,(H,18,20).
What are the key properties of N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 323.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133274813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).