N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

C17H26N6O2S — CID 126918126

IUPACN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C17H26N6O2S/c1-11-16(12(2)19-18-11)26(24,25)22(6)13-9-23(10-13)15-8-7-14(20-21-15)17(3,4)5/h7-8,13H,9-10H2,1-6H3,(H,18,19)
InChIKeyDHAXKKIYOHPIGK-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.62
Rot. Bonds4

About N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 126918126) has the molecular formula C17H26N6O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
PubChem CID126918126
Molecular FormulaC17H26N6O2S
Molecular Weight378.50 g/mol
Exact Mass378.18
IUPAC NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C17H26N6O2S/c1-11-16(12(2)19-18-11)26(24,25)22(6)13-9-23(10-13)15-8-7-14(20-21-15)17(3,4)5/h7-8,13H,9-10H2,1-6H3,(H,18,19)
InChIKeyDHAXKKIYOHPIGK-UHFFFAOYSA-N
XLogP1.62
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methylmethanesulfonamide
CID 126918115
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
CID 126918120
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethylpyrazin-2-amine
CID 126918193
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 126918267
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 61231261
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 126918069
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 61447746
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 126917028
3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine
CID 129258348
N,3,5-trimethyl-N-piperidin-3-yl-1H-pyrazole-4-sulfonamide
CID 60807200
1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
CID 126918355

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (CID 126918126) is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is DHAXKKIYOHPIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2S/c1-11-16(12(2)19-18-11)26(24,25)22(6)13-9-23(10-13)15-8-7-14(20-21-15)17(3,4)5/h7-8,13H,9-10H2,1-6H3,(H,18,19).
What are the key properties of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 126918126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).