N-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H17N5O — CID 2727466

IUPACN-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccccc1CNc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C19H17N5O/c1-25-16-10-6-5-9-15(16)13-20-17-11-12-18-21-22-19(24(18)23-17)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,20,23)
InChIKeyQEXGSNIMFAVYDW-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.41
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 2727466) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID2727466
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccccc1CNc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C19H17N5O/c1-25-16-10-6-5-9-15(16)13-20-17-11-12-18-21-22-19(24(18)23-17)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,20,23)
InChIKeyQEXGSNIMFAVYDW-UHFFFAOYSA-N
XLogP3.41
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 2727466) is N-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COc1ccccc1CNc1ccc2nnc(-c3ccccc3)n2n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is QEXGSNIMFAVYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-25-16-10-6-5-9-15(16)13-20-17-11-12-18-21-22-19(24(18)23-17)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,20,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 331.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 2727466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).