N-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

C18H28N6O — CID 20903923

IUPACN-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCCN(CC)c1ccc2nnc(CCC(=O)NC3CCCCC3)n2n1
InChIInChI=1S/C18H28N6O/c1-3-23(4-2)17-11-10-15-20-21-16(24(15)22-17)12-13-18(25)19-14-8-6-5-7-9-14/h10-11,14H,3-9,12-13H2,1-2H3,(H,19,25)
InChIKeyAFEMZJCAXMSHTD-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.35
Rot. Bonds7

About N-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

N-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (PubChem CID 20903923) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
PubChem CID20903923
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCCN(CC)c1ccc2nnc(CCC(=O)NC3CCCCC3)n2n1
InChIInChI=1S/C18H28N6O/c1-3-23(4-2)17-11-10-15-20-21-16(24(15)22-17)12-13-18(25)19-14-8-6-5-7-9-14/h10-11,14H,3-9,12-13H2,1-2H3,(H,19,25)
InChIKeyAFEMZJCAXMSHTD-UHFFFAOYSA-N
XLogP2.35
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (CID 20903923) is N-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is CCN(CC)c1ccc2nnc(CCC(=O)NC3CCCCC3)n2n1.
What is the InChIKey of N-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The InChIKey is AFEMZJCAXMSHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-3-23(4-2)17-11-10-15-20-21-16(24(15)22-17)12-13-18(25)19-14-8-6-5-7-9-14/h10-11,14H,3-9,12-13H2,1-2H3,(H,19,25).
What are the key properties of N-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
N-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide has a molecular weight of 344.46 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is sourced from PubChem (CID 20903923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).