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

C15H21N5O2 — CID 56762213

IUPACN-cyclohexyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc2nnc(CCC(=O)NC3CCCCC3)n2n1
InChIInChI=1S/C15H21N5O2/c1-22-15-10-8-13-18-17-12(20(13)19-15)7-9-14(21)16-11-5-3-2-4-6-11/h8,10-11H,2-7,9H2,1H3,(H,16,21)
InChIKeyPGJWGWFKORKRCQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.51
Rot. Bonds5

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

N-cyclohexyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 56762213) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-cyclohexyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID56762213
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-cyclohexyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc2nnc(CCC(=O)NC3CCCCC3)n2n1
InChIInChI=1S/C15H21N5O2/c1-22-15-10-8-13-18-17-12(20(13)19-15)7-9-14(21)16-11-5-3-2-4-6-11/h8,10-11H,2-7,9H2,1H3,(H,16,21)
InChIKeyPGJWGWFKORKRCQ-UHFFFAOYSA-N
XLogP1.51
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.51
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-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 56762213) is N-cyclohexyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is COc1ccc2nnc(CCC(=O)NC3CCCCC3)n2n1.
What is the InChIKey of N-cyclohexyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is PGJWGWFKORKRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-22-15-10-8-13-18-17-12(20(13)19-15)7-9-14(21)16-11-5-3-2-4-6-11/h8,10-11H,2-7,9H2,1H3,(H,16,21).
What are the key properties of N-cyclohexyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-cyclohexyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 303.37 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 56762213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).