N-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H18N6O — CID 134805291

IUPACN-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccnc(-c2nnc3ccc(N(C)Cc4ccccc4)nn23)c1
InChIInChI=1S/C19H18N6O/c1-24(13-14-6-4-3-5-7-14)18-9-8-17-21-22-19(25(17)23-18)16-12-15(26-2)10-11-20-16/h3-12H,13H2,1-2H3
InChIKeyOCCSXZMZGPGRTA-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.83
Rot. Bonds5

About N-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 134805291) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID134805291
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccnc(-c2nnc3ccc(N(C)Cc4ccccc4)nn23)c1
InChIInChI=1S/C19H18N6O/c1-24(13-14-6-4-3-5-7-14)18-9-8-17-21-22-19(25(17)23-18)16-12-15(26-2)10-11-20-16/h3-12H,13H2,1-2H3
InChIKeyOCCSXZMZGPGRTA-UHFFFAOYSA-N
XLogP2.83
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 134805291) is N-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COc1ccnc(-c2nnc3ccc(N(C)Cc4ccccc4)nn23)c1.
What is the InChIKey of N-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is OCCSXZMZGPGRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-24(13-14-6-4-3-5-7-14)18-9-8-17-21-22-19(25(17)23-18)16-12-15(26-2)10-11-20-16/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 346.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 134805291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).