cyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone

C19H26N6O — CID 134800804

IUPACcyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCN(c2ccc3nnc(C4CC4)n3n2)CC1
InChIInChI=1S/C19H26N6O/c26-19(15-4-1-2-5-15)24-11-3-10-23(12-13-24)17-9-8-16-20-21-18(14-6-7-14)25(16)22-17/h8-9,14-15H,1-7,10-13H2
InChIKeyCTRAMOINIASMCW-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.23
Rot. Bonds3

About cyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone

cyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 134800804) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is cyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
PubChem CID134800804
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Namecyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCN(c2ccc3nnc(C4CC4)n3n2)CC1
InChIInChI=1S/C19H26N6O/c26-19(15-4-1-2-5-15)24-11-3-10-23(12-13-24)17-9-8-16-20-21-18(14-6-7-14)25(16)22-17/h8-9,14-15H,1-7,10-13H2
InChIKeyCTRAMOINIASMCW-UHFFFAOYSA-N
XLogP2.23
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone (CID 134800804) is cyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone is O=C(C1CCCC1)N1CCCN(c2ccc3nnc(C4CC4)n3n2)CC1.
What is the InChIKey of cyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is CTRAMOINIASMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-19(15-4-1-2-5-15)24-11-3-10-23(12-13-24)17-9-8-16-20-21-18(14-6-7-14)25(16)22-17/h8-9,14-15H,1-7,10-13H2.
What are the key properties of cyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone?
cyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 354.46 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 134800804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).