N-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine

C18H16N6O — CID 133302114

IUPACN-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1ccccc1COc1cccc(Nc2ccc3nnnn3n2)c1
InChIInChI=1S/C18H16N6O/c1-13-5-2-3-6-14(13)12-25-16-8-4-7-15(11-16)19-17-9-10-18-20-22-23-24(18)21-17/h2-11H,12H2,1H3,(H,19,21)
InChIKeyGBIRTNKRDQRGJH-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.15
Rot. Bonds5

About N-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133302114) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133302114
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1ccccc1COc1cccc(Nc2ccc3nnnn3n2)c1
InChIInChI=1S/C18H16N6O/c1-13-5-2-3-6-14(13)12-25-16-8-4-7-15(11-16)19-17-9-10-18-20-22-23-24(18)21-17/h2-11H,12H2,1H3,(H,19,21)
InChIKeyGBIRTNKRDQRGJH-UHFFFAOYSA-N
XLogP3.15
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile
CID 133302111
N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 94436252
N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline
CID 54801284
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole
CID 52891595
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
5-methyl-N-(3-methylphenyl)-7-[3-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135662527
2-(methanesulfonamido)-N-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 75370891
N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19661382
3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid
CID 104572929
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133415002
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 133302114) is N-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine is Cc1ccccc1COc1cccc(Nc2ccc3nnnn3n2)c1.
What is the InChIKey of N-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is GBIRTNKRDQRGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-13-5-2-3-6-14(13)12-25-16-8-4-7-15(11-16)19-17-9-10-18-20-22-23-24(18)21-17/h2-11H,12H2,1H3,(H,19,21).
What are the key properties of N-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 332.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133302114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).