8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine

C8H14N4 — CID 170079388

IUPAC8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCC(C)C1CCNn2ncnc21
InChIInChI=1S/C8H14N4/c1-6(2)7-3-4-10-12-8(7)9-5-11-12/h5-7,10H,3-4H2,1-2H3
InChIKeyCMJLWMCLBCWWLY-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.96
Rot. Bonds1

About 8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine

8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 170079388) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID170079388
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCC(C)C1CCNn2ncnc21
InChIInChI=1S/C8H14N4/c1-6(2)7-3-4-10-12-8(7)9-5-11-12/h5-7,10H,3-4H2,1-2H3
InChIKeyCMJLWMCLBCWWLY-UHFFFAOYSA-N
XLogP0.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936
N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 115876715
2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine
CID 130530665
5-cyclobutyl-1-ethyl-1,2,4-triazole
CID 101129673
3-propan-2-ylpyrrolidin-2-one;(3S)-3-propan-2-ylpyrrolidin-2-one;(3R)-3-propan-2-ylpyrrolidin-2-one
CID 158680886
5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole
CID 130530652
(2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552945
N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 104582927
1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 112744380
5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136555871
4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine
CID 140642578
1-methyl-5-(1-pyrrolidin-2-ylethylsulfanyl)-1,2,4-triazole
CID 164659526

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine (CID 170079388) is 8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine is CC(C)C1CCNn2ncnc21.
What is the InChIKey of 8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is CMJLWMCLBCWWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6(2)7-3-4-10-12-8(7)9-5-11-12/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine?
8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 166.23 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 170079388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).