N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine

C13H13FN6O — CID 18133565

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCOc1ccc(CN(C)c2ccc3nnnn3n2)cc1F
InChIInChI=1S/C13H13FN6O/c1-19(8-9-3-4-11(21-2)10(14)7-9)13-6-5-12-15-17-18-20(12)16-13/h3-7H,8H2,1-2H3
InChIKeyBKMDFHZSSSZGSU-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.30
Rot. Bonds4

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 18133565) has the molecular formula C13H13FN6O and a molecular weight of 288.29 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
PubChem CID18133565
Molecular FormulaC13H13FN6O
Molecular Weight288.29 g/mol
Exact Mass288.11
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCOc1ccc(CN(C)c2ccc3nnnn3n2)cc1F
InChIInChI=1S/C13H13FN6O/c1-19(8-9-3-4-11(21-2)10(14)7-9)13-6-5-12-15-17-18-20(12)16-13/h3-7H,8H2,1-2H3
InChIKeyBKMDFHZSSSZGSU-UHFFFAOYSA-N
XLogP1.30
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (CID 18133565) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is COc1ccc(CN(C)c2ccc3nnnn3n2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is BKMDFHZSSSZGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6O/c1-19(8-9-3-4-11(21-2)10(14)7-9)13-6-5-12-15-17-18-20(12)16-13/h3-7H,8H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 288.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 18133565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).