3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile

C17H17N9 — CID 126921747

IUPAC3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile
SMILESCN(c1nccnc1C#N)C1CN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C17H17N9/c1-24(17-13(8-18)19-6-7-20-17)12-9-25(10-12)15-5-4-14-21-22-16(11-2-3-11)26(14)23-15/h4-7,11-12H,2-3,9-10H2,1H3
InChIKeyKXKDDCJFBWPRQP-UHFFFAOYSA-N
MW347.39 g/mol
LogP0.99
Rot. Bonds4

About 3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile

3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile (PubChem CID 126921747) has the molecular formula C17H17N9 and a molecular weight of 347.39 g/mol. Its IUPAC name is 3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile
PubChem CID126921747
Molecular FormulaC17H17N9
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile
SMILESCN(c1nccnc1C#N)C1CN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C17H17N9/c1-24(17-13(8-18)19-6-7-20-17)12-9-25(10-12)15-5-4-14-21-22-16(11-2-3-11)26(14)23-15/h4-7,11-12H,2-3,9-10H2,1H3
InChIKeyKXKDDCJFBWPRQP-UHFFFAOYSA-N
XLogP0.99
TPSA99.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,3-dimethylpyrazin-2-amine
CID 126922208
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylpyrimidin-2-amine
CID 126922171
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126921798
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 126921759
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine
CID 126921842
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethylpyrazin-2-amine
CID 126921801
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126922209
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 126922338
3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126912604
N-(cyclobutylmethyl)-1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 126922316
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 126922204
2-[methyl-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126921480

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile (CID 126921747) is 3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile is CN(c1nccnc1C#N)C1CN(c2ccc3nnc(C4CC4)n3n2)C1.
What is the InChIKey of 3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile?
The InChIKey is KXKDDCJFBWPRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N9/c1-24(17-13(8-18)19-6-7-20-17)12-9-25(10-12)15-5-4-14-21-22-16(11-2-3-11)26(14)23-15/h4-7,11-12H,2-3,9-10H2,1H3.
What are the key properties of 3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile?
3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile has a molecular weight of 347.39 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 126921747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).