1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine

C13H21N3 — CID 58297677

IUPAC1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine
SMILESCC(C)CN1C=CN2C=CC=C(C(C)C)N21
InChIInChI=1S/C13H21N3/c1-11(2)10-15-9-8-14-7-5-6-13(12(3)4)16(14)15/h5-9,11-12H,10H2,1-4H3
InChIKeyOTEITECVGVMRRT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.93
Rot. Bonds3

About 1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine

1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine (PubChem CID 58297677) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine
PubChem CID58297677
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine
SMILESCC(C)CN1C=CN2C=CC=C(C(C)C)N21
InChIInChI=1S/C13H21N3/c1-11(2)10-15-9-8-14-7-5-6-13(12(3)4)16(14)15/h5-9,11-12H,10H2,1-4H3
InChIKeyOTEITECVGVMRRT-UHFFFAOYSA-N
XLogP2.93
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine?
The IUPAC name of 1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine (CID 58297677) is 1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine.
What is the SMILES notation for 1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine?
The canonical SMILES for 1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine is CC(C)CN1C=CN2C=CC=C(C(C)C)N21.
What is the InChIKey of 1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine?
The InChIKey is OTEITECVGVMRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11(2)10-15-9-8-14-7-5-6-13(12(3)4)16(14)15/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine?
1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine has a molecular weight of 219.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-8-propan-2-yltriazolo[1,2-a]pyridazine is sourced from PubChem (CID 58297677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).