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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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).