N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide

C22H24N6O3 — CID 126935905

IUPACN-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
SMILESO=C(NC1CCC(n2nc3c(cc2=O)COCC3)CC1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C22H24N6O3/c29-21-12-15-14-31-11-10-19(15)25-27(21)17-8-6-16(7-9-17)24-22(30)20-13-23-28(26-20)18-4-2-1-3-5-18/h1-5,12-13,16-17H,6-11,14H2,(H,24,30)
InChIKeyIBVBNVASCDEXFG-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.81
Rot. Bonds4

About N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide

N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide (PubChem CID 126935905) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
PubChem CID126935905
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
SMILESO=C(NC1CCC(n2nc3c(cc2=O)COCC3)CC1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C22H24N6O3/c29-21-12-15-14-31-11-10-19(15)25-27(21)17-8-6-16(7-9-17)24-22(30)20-13-23-28(26-20)18-4-2-1-3-5-18/h1-5,12-13,16-17H,6-11,14H2,(H,24,30)
InChIKeyIBVBNVASCDEXFG-UHFFFAOYSA-N
XLogP1.81
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide
CID 126935985
2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 126935921
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 126935960
2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
CID 43345759
cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120674958
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide
CID 126935996
1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide
CID 126935967
2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936115
N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide
CID 115880818
2-[4-[(3-chloro-4-pyridinyl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936009
2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936168
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide
CID 90543512

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide (CID 126935905) is N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide is O=C(NC1CCC(n2nc3c(cc2=O)COCC3)CC1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is IBVBNVASCDEXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c29-21-12-15-14-31-11-10-19(15)25-27(21)17-8-6-16(7-9-17)24-22(30)20-13-23-28(26-20)18-4-2-1-3-5-18/h1-5,12-13,16-17H,6-11,14H2,(H,24,30).
What are the key properties of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide?
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 126935905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).