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

C15H16N8O — CID 126921100

IUPACN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide
SMILESCc1nnc2ccc(N3CC(N(C)C(=O)c4cnccn4)C3)nn12
InChIInChI=1S/C15H16N8O/c1-10-18-19-13-3-4-14(20-23(10)13)22-8-11(9-22)21(2)15(24)12-7-16-5-6-17-12/h3-7,11H,8-9H2,1-2H3
InChIKeyZHPZNAGCQHJPIT-UHFFFAOYSA-N
MW324.35 g/mol
LogP0.18
Rot. Bonds3

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

N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide (PubChem CID 126921100) has the molecular formula C15H16N8O and a molecular weight of 324.35 g/mol. Its IUPAC name is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide
PubChem CID126921100
Molecular FormulaC15H16N8O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC NameN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide
SMILESCc1nnc2ccc(N3CC(N(C)C(=O)c4cnccn4)C3)nn12
InChIInChI=1S/C15H16N8O/c1-10-18-19-13-3-4-14(20-23(10)13)22-8-11(9-22)21(2)15(24)12-7-16-5-6-17-12/h3-7,11H,8-9H2,1-2H3
InChIKeyZHPZNAGCQHJPIT-UHFFFAOYSA-N
XLogP0.18
TPSA92.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide
CID 126921171
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-pyridin-4-ylsulfanylacetamide
CID 134161372
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide
CID 126921502
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indazole-3-carboxamide
CID 126921173
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 126921118
1-methyl-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-(oxan-4-yl)urea
CID 126921122
N,3-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126921210
N-cyclohexyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921223
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyrimidin-4-ylmethyl)azetidin-3-amine
CID 126921334
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 134161459
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-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine
CID 126921226

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide (CID 126921100) is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide is Cc1nnc2ccc(N3CC(N(C)C(=O)c4cnccn4)C3)nn12.
What is the InChIKey of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is ZHPZNAGCQHJPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O/c1-10-18-19-13-3-4-14(20-23(10)13)22-8-11(9-22)21(2)15(24)12-7-16-5-6-17-12/h3-7,11H,8-9H2,1-2H3.
What are the key properties of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide?
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 126921100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).