4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

C19H17N9O — CID 59548475

IUPAC4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(-c3ccnnc3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C19H17N9O/c1-11-25-18(28-19(20)26-11)15-7-13(12-5-6-23-24-9-12)8-22-17(15)27-14-3-4-16(29-2)21-10-14/h3-10H,1-2H3,(H,22,27)(H2,20,25,26,28)
InChIKeyKRJJXPUSYAUMIN-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.43
Rot. Bonds5

About 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548475) has the molecular formula C19H17N9O and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548475
Molecular FormulaC19H17N9O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(-c3ccnnc3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C19H17N9O/c1-11-25-18(28-19(20)26-11)15-7-13(12-5-6-23-24-9-12)8-22-17(15)27-14-3-4-16(29-2)21-10-14/h3-10H,1-2H3,(H,22,27)(H2,20,25,26,28)
InChIKeyKRJJXPUSYAUMIN-UHFFFAOYSA-N
XLogP2.43
TPSA137.51 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548475) is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(Nc2ncc(-c3ccnnc3)cc2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is KRJJXPUSYAUMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N9O/c1-11-25-18(28-19(20)26-11)15-7-13(12-5-6-23-24-9-12)8-22-17(15)27-14-3-4-16(29-2)21-10-14/h3-10H,1-2H3,(H,22,27)(H2,20,25,26,28).
What are the key properties of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 387.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).