3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C16H14N6O — CID 137348598

IUPAC3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(-c3cnn(C)c3Oc3ccccc3)nn12
InChIInChI=1S/C16H14N6O/c1-11-18-19-15-9-8-14(20-22(11)15)13-10-17-21(2)16(13)23-12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyPABNTFSOLMJZLZ-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.63
Rot. Bonds3

About 3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 137348598) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID137348598
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(-c3cnn(C)c3Oc3ccccc3)nn12
InChIInChI=1S/C16H14N6O/c1-11-18-19-15-9-8-14(20-22(11)15)13-10-17-21(2)16(13)23-12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyPABNTFSOLMJZLZ-UHFFFAOYSA-N
XLogP2.63
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 137348598) is 3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2ccc(-c3cnn(C)c3Oc3ccccc3)nn12.
What is the InChIKey of 3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is PABNTFSOLMJZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-11-18-19-15-9-8-14(20-22(11)15)13-10-17-21(2)16(13)23-12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 306.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 137348598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).