6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C11H16N4 — CID 134516560

IUPAC6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCC(C)c1nn2c(C)nnc2cc1C
InChIInChI=1S/C11H16N4/c1-5-7(2)11-8(3)6-10-13-12-9(4)15(10)14-11/h6-7H,5H2,1-4H3
InChIKeyKBLVMMMEAANHFH-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.25
Rot. Bonds2

About 6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134516560) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134516560
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCC(C)c1nn2c(C)nnc2cc1C
InChIInChI=1S/C11H16N4/c1-5-7(2)11-8(3)6-10-13-12-9(4)15(10)14-11/h6-7H,5H2,1-4H3
InChIKeyKBLVMMMEAANHFH-UHFFFAOYSA-N
XLogP2.25
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 602696
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 112843796
6-ethyl-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 142345359
7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine
CID 142405800
6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane
CID 171630717
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 97059499
3,5-di(butan-2-yl)-1,4-dimethylpyrazole;propane
CID 144532911
3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine
CID 62830810
4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol
CID 71870907
2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532509
5-butan-2-yl-2-methyl-3-propan-2-ylimidazol-4-amine
CID 62226713
3-ethyl-5-methyl-1-propan-2-ylpyrazole
CID 58977189

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 134516560) is 6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is CCC(C)c1nn2c(C)nnc2cc1C.
What is the InChIKey of 6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is KBLVMMMEAANHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-5-7(2)11-8(3)6-10-13-12-9(4)15(10)14-11/h6-7H,5H2,1-4H3.
What are the key properties of 6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 204.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134516560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).