N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

C15H18N6O — CID 133417071

IUPACN-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)Oc1cccc(CN(C)c2ccc3nnnn3n2)c1
InChIInChI=1S/C15H18N6O/c1-11(2)22-13-6-4-5-12(9-13)10-20(3)15-8-7-14-16-18-19-21(14)17-15/h4-9,11H,10H2,1-3H3
InChIKeyRIDWORCVMPMHJJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.94
Rot. Bonds5

About N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133417071) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133417071
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)Oc1cccc(CN(C)c2ccc3nnnn3n2)c1
InChIInChI=1S/C15H18N6O/c1-11(2)22-13-6-4-5-12(9-13)10-20(3)15-8-7-14-16-18-19-21(14)17-15/h4-9,11H,10H2,1-3H3
InChIKeyRIDWORCVMPMHJJ-UHFFFAOYSA-N
XLogP1.94
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 133417071) is N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is CC(C)Oc1cccc(CN(C)c2ccc3nnnn3n2)c1.
What is the InChIKey of N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is RIDWORCVMPMHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-11(2)22-13-6-4-5-12(9-13)10-20(3)15-8-7-14-16-18-19-21(14)17-15/h4-9,11H,10H2,1-3H3.
What are the key properties of N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 298.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133417071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).