N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide

C20H20N8O2 — CID 126937224

IUPACN-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CCC(n2nc(-n3cncn3)ccc2=O)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C20H20N8O2/c29-18-10-9-17(27-12-21-11-22-27)26-28(18)14-7-5-13(6-8-14)23-20(30)19-15-3-1-2-4-16(15)24-25-19/h1-4,9-14H,5-8H2,(H,23,30)(H,24,25)
InChIKeyAFJRSCRTMRHNJX-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.61
Rot. Bonds4

About N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide

N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide (PubChem CID 126937224) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide
PubChem CID126937224
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CCC(n2nc(-n3cncn3)ccc2=O)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C20H20N8O2/c29-18-10-9-17(27-12-21-11-22-27)26-28(18)14-7-5-13(6-8-14)23-20(30)19-15-3-1-2-4-16(15)24-25-19/h1-4,9-14H,5-8H2,(H,23,30)(H,24,25)
InChIKeyAFJRSCRTMRHNJX-UHFFFAOYSA-N
XLogP1.61
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-benzofuran-2-carboxamide
CID 126937171
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide
CID 126935985
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 126934650
5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide
CID 126937172
2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937330
N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
2-[4-(cyclopropylmethylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937259
N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 52768718
N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 51110170
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
CID 43596560

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide (CID 126937224) is N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide is O=C(NC1CCC(n2nc(-n3cncn3)ccc2=O)CC1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide?
The InChIKey is AFJRSCRTMRHNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c29-18-10-9-17(27-12-21-11-22-27)26-28(18)14-7-5-13(6-8-14)23-20(30)19-15-3-1-2-4-16(15)24-25-19/h1-4,9-14H,5-8H2,(H,23,30)(H,24,25).
What are the key properties of N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide?
N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 126937224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).