N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

C18H23N7 — CID 94424858

IUPACN-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESC[C@@H]1CCCN(Cc2ccccc2CNc2ccc3nnnn3n2)C1
InChIInChI=1S/C18H23N7/c1-14-5-4-10-24(12-14)13-16-7-3-2-6-15(16)11-19-17-8-9-18-20-22-23-25(18)21-17/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyAOAMBJRUORNCPG-CQSZACIVSA-N
MW337.43 g/mol
LogP2.36
Rot. Bonds5

About N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 94424858) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID94424858
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC NameN-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESC[C@@H]1CCCN(Cc2ccccc2CNc2ccc3nnnn3n2)C1
InChIInChI=1S/C18H23N7/c1-14-5-4-10-24(12-14)13-16-7-3-2-6-15(16)11-19-17-8-9-18-20-22-23-25(18)21-17/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyAOAMBJRUORNCPG-CQSZACIVSA-N
XLogP2.36
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine with MolForge

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Related Compounds

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 60504551
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine
CID 47054208
N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 24590303
4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
2-ethylsulfonyl-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 52610752
[2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 60504469
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitropyridin-2-amine
CID 60504549
2,4-dimethyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714039

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 94424858) is N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is C[C@@H]1CCCN(Cc2ccccc2CNc2ccc3nnnn3n2)C1.
What is the InChIKey of N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is AOAMBJRUORNCPG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N7/c1-14-5-4-10-24(12-14)13-16-7-3-2-6-15(16)11-19-17-8-9-18-20-22-23-25(18)21-17/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 337.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 94424858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).