5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide

C15H16N8O — CID 129357703

IUPAC5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cn1
InChIInChI=1S/C15H16N8O/c1-10-6-17-12(7-16-10)15(24)19-11-4-5-22(8-11)14-3-2-13-20-18-9-23(13)21-14/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,19,24)/t11-/m0/s1
InChIKeyVFPLCNVMWGEWFF-NSHDSACASA-N
MW324.35 g/mol
LogP0.23
Rot. Bonds3

About 5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide

5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 129357703) has the molecular formula C15H16N8O and a molecular weight of 324.35 g/mol. Its IUPAC name is 5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID129357703
Molecular FormulaC15H16N8O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cn1
InChIInChI=1S/C15H16N8O/c1-10-6-17-12(7-16-10)15(24)19-11-4-5-22(8-11)14-3-2-13-20-18-9-23(13)21-14/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,19,24)/t11-/m0/s1
InChIKeyVFPLCNVMWGEWFF-NSHDSACASA-N
XLogP0.23
TPSA101.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-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

US10155765, Example 31
CID 121493987
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide
CID 73671218
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181640
5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181645
5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181674
5-[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181675
5-[(3S,4S)-3-amino-4-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181676
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196169
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196173
US10329294, Example 90
CID 122516506
6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 122615173
N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 155512660

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide (CID 129357703) is 5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cn1.
What is the InChIKey of 5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is VFPLCNVMWGEWFF-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N8O/c1-10-6-17-12(7-16-10)15(24)19-11-4-5-22(8-11)14-3-2-13-20-18-9-23(13)21-14/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,19,24)/t11-/m0/s1.
What are the key properties of 5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 129357703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).