6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

C14H22N6 — CID 39036075

IUPAC6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCN1CCN(c2ccc3nnc(C(C)C)n3n2)CC1
InChIInChI=1S/C14H22N6/c1-4-18-7-9-19(10-8-18)13-6-5-12-15-16-14(11(2)3)20(12)17-13/h5-6,11H,4,7-10H2,1-3H3
InChIKeyPHLYPRQRDOLKIZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.39
Rot. Bonds3

About 6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 39036075) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID39036075
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCN1CCN(c2ccc3nnc(C(C)C)n3n2)CC1
InChIInChI=1S/C14H22N6/c1-4-18-7-9-19(10-8-18)13-6-5-12-15-16-14(11(2)3)20(12)17-13/h5-6,11H,4,7-10H2,1-3H3
InChIKeyPHLYPRQRDOLKIZ-UHFFFAOYSA-N
XLogP1.39
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 122175947
6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 29136402
3-(difluoromethyl)-6-[4-[[4-(difluoromethyl)phenyl]methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149757
ethyl 4-[[1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]benzoate
CID 29134263
6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 39732405
6-(4-but-3-ynylpiperazin-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133407069
N-cyclooctyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42655620
(3S)-N-(4-acetamidophenyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39352624
6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67340876
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
N-[(1S)-1-cyclopropylethyl]-2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 95347251
3-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53016958

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 39036075) is 6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is CCN1CCN(c2ccc3nnc(C(C)C)n3n2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is PHLYPRQRDOLKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-4-18-7-9-19(10-8-18)13-6-5-12-15-16-14(11(2)3)20(12)17-13/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 274.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 39036075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).