5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide

C21H15N7O2 — CID 121037059

IUPAC5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)no1
InChIInChI=1S/C21H15N7O2/c1-13-12-18(27-30-13)21(29)23-15-7-5-14(6-8-15)16-9-10-19-24-25-20(28(19)26-16)17-4-2-3-11-22-17/h2-12H,1H3,(H,23,29)
InChIKeyBTZYQVVHJTYROB-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.40
Rot. Bonds4

About 5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 121037059) has the molecular formula C21H15N7O2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID121037059
Molecular FormulaC21H15N7O2
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)no1
InChIInChI=1S/C21H15N7O2/c1-13-12-18(27-30-13)21(29)23-15-7-5-14(6-8-15)16-9-10-19-24-25-20(28(19)26-16)17-4-2-3-11-22-17/h2-12H,1H3,(H,23,29)
InChIKeyBTZYQVVHJTYROB-UHFFFAOYSA-N
XLogP3.40
TPSA111.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide (CID 121037059) is 5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)no1.
What is the InChIKey of 5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BTZYQVVHJTYROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7O2/c1-13-12-18(27-30-13)21(29)23-15-7-5-14(6-8-15)16-9-10-19-24-25-20(28(19)26-16)17-4-2-3-11-22-17/h2-12H,1H3,(H,23,29).
What are the key properties of 5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121037059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).