N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide

C20H26N8O — CID 126922727

IUPACN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(C(=O)c1cc(C2CC2)[nH]n1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1
InChIInChI=1S/C20H26N8O/c1-20(2,3)19-24-23-16-7-8-17(25-28(16)19)27-10-13(11-27)26(4)18(29)15-9-14(21-22-15)12-5-6-12/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,21,22)
InChIKeyJYSZSVOPJVAVOG-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.98
Rot. Bonds4

About N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide

N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 126922727) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID126922727
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC NameN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(C(=O)c1cc(C2CC2)[nH]n1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1
InChIInChI=1S/C20H26N8O/c1-20(2,3)19-24-23-16-7-8-17(25-28(16)19)27-10-13(11-27)26(4)18(29)15-9-14(21-22-15)12-5-6-12/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,21,22)
InChIKeyJYSZSVOPJVAVOG-UHFFFAOYSA-N
XLogP1.98
TPSA95.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide 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-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethyltriazole-4-carboxamide
CID 126922663
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2,4-difluoro-N-methylbenzamide
CID 134161488
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126923041
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide
CID 134160816
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 126922688
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 126922665
2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol
CID 126923036
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 126917778
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
CID 126922978
3-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]azepan-2-one
CID 126922967
1-[3-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-3-hydroxyazepan-1-yl]ethanone
CID 126923027
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126922761

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide (CID 126922727) is N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide is CN(C(=O)c1cc(C2CC2)[nH]n1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1.
What is the InChIKey of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is JYSZSVOPJVAVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O/c1-20(2,3)19-24-23-16-7-8-17(25-28(16)19)27-10-13(11-27)26(4)18(29)15-9-14(21-22-15)12-5-6-12/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,21,22).
What are the key properties of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126922727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).