1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide

C19H15N7OS — CID 91818160

IUPAC1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2nnc3ccc(-c4cccs4)nn23)c2ccccc21
InChIInChI=1S/C19H15N7OS/c1-25-14-6-3-2-5-12(14)18(24-25)19(27)20-11-17-22-21-16-9-8-13(23-26(16)17)15-7-4-10-28-15/h2-10H,11H2,1H3,(H,20,27)
InChIKeyQTMWVZCWRPGWGN-UHFFFAOYSA-N
MW389.44 g/mol
LogP2.67
Rot. Bonds4

About 1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide

1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide (PubChem CID 91818160) has the molecular formula C19H15N7OS and a molecular weight of 389.44 g/mol. Its IUPAC name is 1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide
PubChem CID91818160
Molecular FormulaC19H15N7OS
Molecular Weight389.44 g/mol
Exact Mass389.11
IUPAC Name1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2nnc3ccc(-c4cccs4)nn23)c2ccccc21
InChIInChI=1S/C19H15N7OS/c1-25-14-6-3-2-5-12(14)18(24-25)19(27)20-11-17-22-21-16-9-8-13(23-26(16)17)15-7-4-10-28-15/h2-10H,11H2,1H3,(H,20,27)
InChIKeyQTMWVZCWRPGWGN-UHFFFAOYSA-N
XLogP2.67
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide (CID 91818160) is 1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide is Cn1nc(C(=O)NCc2nnc3ccc(-c4cccs4)nn23)c2ccccc21.
What is the InChIKey of 1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide?
The InChIKey is QTMWVZCWRPGWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7OS/c1-25-14-6-3-2-5-12(14)18(24-25)19(27)20-11-17-22-21-16-9-8-13(23-26(16)17)15-7-4-10-28-15/h2-10H,11H2,1H3,(H,20,27).
What are the key properties of 1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide?
1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 91818160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).