6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C14H13F3N6 — CID 71847651

IUPAC6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ccc2c1CN(c1ccc3nnc(C(F)(F)F)n3n1)CC2
InChIInChI=1S/C14H13F3N6/c1-21-6-4-9-5-7-22(8-10(9)21)12-3-2-11-18-19-13(14(15,16)17)23(11)20-12/h2-4,6H,5,7-8H2,1H3
InChIKeyKPLMHEBXNWNNIG-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.04
Rot. Bonds1

About 6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 71847651) has the molecular formula C14H13F3N6 and a molecular weight of 322.29 g/mol. Its IUPAC name is 6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID71847651
Molecular FormulaC14H13F3N6
Molecular Weight322.29 g/mol
Exact Mass322.12
IUPAC Name6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ccc2c1CN(c1ccc3nnc(C(F)(F)F)n3n1)CC2
InChIInChI=1S/C14H13F3N6/c1-21-6-4-9-5-7-22(8-10(9)21)12-3-2-11-18-19-13(14(15,16)17)23(11)20-12/h2-4,6H,5,7-8H2,1H3
InChIKeyKPLMHEBXNWNNIG-UHFFFAOYSA-N
XLogP2.04
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 71847651) is 6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cn1ccc2c1CN(c1ccc3nnc(C(F)(F)F)n3n1)CC2.
What is the InChIKey of 6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is KPLMHEBXNWNNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6/c1-21-6-4-9-5-7-22(8-10(9)21)12-3-2-11-18-19-13(14(15,16)17)23(11)20-12/h2-4,6H,5,7-8H2,1H3.
What are the key properties of 6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 322.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 71847651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).