N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine

C13H12F2N6O — CID 17416068

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(Cc1ccc(OC(F)F)cc1)c1ccc2nnnn2n1
InChIInChI=1S/C13H12F2N6O/c1-20(12-7-6-11-16-18-19-21(11)17-12)8-9-2-4-10(5-3-9)22-13(14)15/h2-7,13H,8H2,1H3
InChIKeyIOAMTUXXIKTFPQ-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.76
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 17416068) has the molecular formula C13H12F2N6O and a molecular weight of 306.28 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
PubChem CID17416068
Molecular FormulaC13H12F2N6O
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(Cc1ccc(OC(F)F)cc1)c1ccc2nnnn2n1
InChIInChI=1S/C13H12F2N6O/c1-20(12-7-6-11-16-18-19-21(11)17-12)8-9-2-4-10(5-3-9)22-13(14)15/h2-7,13H,8H2,1H3
InChIKeyIOAMTUXXIKTFPQ-UHFFFAOYSA-N
XLogP1.76
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (CID 17416068) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is CN(Cc1ccc(OC(F)F)cc1)c1ccc2nnnn2n1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is IOAMTUXXIKTFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N6O/c1-20(12-7-6-11-16-18-19-21(11)17-12)8-9-2-4-10(5-3-9)22-13(14)15/h2-7,13H,8H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 306.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 17416068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).