7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine

C12H18N4 — CID 155403948

IUPAC7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCC(C)c1nn2ncnc2cc1C(C)(C)C
InChIInChI=1S/C12H18N4/c1-8(2)11-9(12(3,4)5)6-10-13-7-14-16(10)15-11/h6-8H,1-5H3
InChIKeyAAYDCTFVCJQOGU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.55
Rot. Bonds1

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

7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 155403948) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID155403948
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCC(C)c1nn2ncnc2cc1C(C)(C)C
InChIInChI=1S/C12H18N4/c1-8(2)11-9(12(3,4)5)6-10-13-7-14-16(10)15-11/h6-8H,1-5H3
InChIKeyAAYDCTFVCJQOGU-UHFFFAOYSA-N
XLogP2.55
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168797699
2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide
CID 3073784
6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine
CID 130438978
3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide
CID 10710436
5-tert-butyl-2,4-di(propan-2-yl)pyrimidine
CID 176827560
4-tert-butyl-1-propan-2-ylisoquinoline
CID 170136172
6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid
CID 10488205
7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine
CID 142405800
N-[[2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 107447523
6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 59253392
4-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 118053651
6-chloro-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 168797566

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine (CID 155403948) is 7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine is CC(C)c1nn2ncnc2cc1C(C)(C)C.
What is the InChIKey of 7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is AAYDCTFVCJQOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8(2)11-9(12(3,4)5)6-10-13-7-14-16(10)15-11/h6-8H,1-5H3.
What are the key properties of 7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine?
7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 218.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 155403948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).