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

C19H17N5 — CID 6620077

IUPACN-benzyl-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(Cc1ccccc1)c1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C19H17N5/c1-23(14-15-8-4-2-5-9-15)18-13-12-17-20-21-19(24(17)22-18)16-10-6-3-7-11-16/h2-13H,14H2,1H3
InChIKeyKPHIZDWHJHCYJM-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.43
Rot. Bonds4

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

N-benzyl-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 6620077) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID6620077
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC NameN-benzyl-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(Cc1ccccc1)c1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C19H17N5/c1-23(14-15-8-4-2-5-9-15)18-13-12-17-20-21-19(24(17)22-18)16-10-6-3-7-11-16/h2-13H,14H2,1H3
InChIKeyKPHIZDWHJHCYJM-UHFFFAOYSA-N
XLogP3.43
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-benzyl-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 6620077) is N-benzyl-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-benzyl-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-benzyl-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CN(Cc1ccccc1)c1ccc2nnc(-c3ccccc3)n2n1.
What is the InChIKey of N-benzyl-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is KPHIZDWHJHCYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-23(14-15-8-4-2-5-9-15)18-13-12-17-20-21-19(24(17)22-18)16-10-6-3-7-11-16/h2-13H,14H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-benzyl-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 315.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 6620077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).