N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine

C17H21N7O — CID 56816190

IUPACN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCOc1ccccc1CN1CCC(Nc2ccc3nnnn3n2)CC1
InChIInChI=1S/C17H21N7O/c1-25-15-5-3-2-4-13(15)12-23-10-8-14(9-11-23)18-16-6-7-17-19-21-22-24(17)20-16/h2-7,14H,8-12H2,1H3,(H,18,20)
InChIKeyZVTHSDKMRFUBOK-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.60
Rot. Bonds5

About N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 56816190) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID56816190
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCOc1ccccc1CN1CCC(Nc2ccc3nnnn3n2)CC1
InChIInChI=1S/C17H21N7O/c1-25-15-5-3-2-4-13(15)12-23-10-8-14(9-11-23)18-16-6-7-17-19-21-22-24(17)20-16/h2-7,14H,8-12H2,1H3,(H,18,20)
InChIKeyZVTHSDKMRFUBOK-UHFFFAOYSA-N
XLogP1.60
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(cyclopentylmethyl)piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 56821952
N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 3373355
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133356553
N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 79033610
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 94424858
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
CID 3362451
1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one
CID 133296489
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 121498652
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine (CID 56816190) is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine is COc1ccccc1CN1CCC(Nc2ccc3nnnn3n2)CC1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is ZVTHSDKMRFUBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-25-15-5-3-2-4-13(15)12-23-10-8-14(9-11-23)18-16-6-7-17-19-21-22-24(17)20-16/h2-7,14H,8-12H2,1H3,(H,18,20).
What are the key properties of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 339.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 56816190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).