N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine

C19H26N6 — CID 126918184

IUPACN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
SMILESCN(c1cc2c(nn1)CCC2)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C19H26N6/c1-19(2,3)16-8-9-17(22-21-16)25-11-14(12-25)24(4)18-10-13-6-5-7-15(13)20-23-18/h8-10,14H,5-7,11-12H2,1-4H3
InChIKeyTWDXOYMCUZNITQ-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.38
Rot. Bonds3

About N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine (PubChem CID 126918184) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
PubChem CID126918184
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
SMILESCN(c1cc2c(nn1)CCC2)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C19H26N6/c1-19(2,3)16-8-9-17(22-21-16)25-11-14(12-25)24(4)18-10-13-6-5-7-15(13)20-23-18/h8-10,14H,5-7,11-12H2,1-4H3
InChIKeyTWDXOYMCUZNITQ-UHFFFAOYSA-N
XLogP2.38
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-tert-butyl-N-methyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyridazin-3-amine
CID 126919645
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 126917395
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-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126918141
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-methylmethanesulfonamide
CID 126918115
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 126918387
5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile
CID 126918390
1-(6-tert-butylpyridazin-3-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylazetidin-3-amine
CID 126918170
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine
CID 126923078
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine
CID 126918901

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine?
The IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine (CID 126918184) is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine.
What is the SMILES notation for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine?
The canonical SMILES for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine is CN(c1cc2c(nn1)CCC2)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine?
The InChIKey is TWDXOYMCUZNITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-19(2,3)16-8-9-17(22-21-16)25-11-14(12-25)24(4)18-10-13-6-5-7-15(13)20-23-18/h8-10,14H,5-7,11-12H2,1-4H3.
What are the key properties of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine?
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine has a molecular weight of 338.46 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine is sourced from PubChem (CID 126918184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).