5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile

C17H21N7 — CID 126918390

IUPAC5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile
SMILESCN(c1cnc(C#N)cn1)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C17H21N7/c1-17(2,3)14-5-6-15(22-21-14)24-10-13(11-24)23(4)16-9-19-12(7-18)8-20-16/h5-6,8-9,13H,10-11H2,1-4H3
InChIKeyBORIDQJVIOVKHD-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.76
Rot. Bonds3

About 5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile

5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile (PubChem CID 126918390) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile
PubChem CID126918390
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile
SMILESCN(c1cnc(C#N)cn1)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C17H21N7/c1-17(2,3)14-5-6-15(22-21-14)24-10-13(11-24)23(4)16-9-19-12(7-18)8-20-16/h5-6,8-9,13H,10-11H2,1-4H3
InChIKeyBORIDQJVIOVKHD-UHFFFAOYSA-N
XLogP1.76
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 126918387
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethylpyrazin-2-amine
CID 126918193
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126918141
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-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 126918184
5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile
CID 66181833
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine
CID 126918220
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 126918382
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine
CID 126918139
1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine
CID 126918251
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine
CID 129258348

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile (CID 126918390) is 5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile is CN(c1cnc(C#N)cn1)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of 5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile?
The InChIKey is BORIDQJVIOVKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-17(2,3)14-5-6-15(22-21-14)24-10-13(11-24)23(4)16-9-19-12(7-18)8-20-16/h5-6,8-9,13H,10-11H2,1-4H3.
What are the key properties of 5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile?
5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 126918390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).