3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole

C14H11FN6 — CID 12695689

IUPAC3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole
SMILESCc1cc(C)n(-c2nnc3c(n2)[nH]c2ccc(F)cc23)n1
InChIInChI=1S/C14H11FN6/c1-7-5-8(2)21(20-7)14-17-13-12(18-19-14)10-6-9(15)3-4-11(10)16-13/h3-6H,1-2H3,(H,16,17,19)
InChIKeyVRRNVVWXHLJUKR-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.45
Rot. Bonds1

About 3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole

3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole (PubChem CID 12695689) has the molecular formula C14H11FN6 and a molecular weight of 282.28 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole
PubChem CID12695689
Molecular FormulaC14H11FN6
Molecular Weight282.28 g/mol
Exact Mass282.10
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole
SMILESCc1cc(C)n(-c2nnc3c(n2)[nH]c2ccc(F)cc23)n1
InChIInChI=1S/C14H11FN6/c1-7-5-8(2)21(20-7)14-17-13-12(18-19-14)10-6-9(15)3-4-11(10)16-13/h3-6H,1-2H3,(H,16,17,19)
InChIKeyVRRNVVWXHLJUKR-UHFFFAOYSA-N
XLogP2.45
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole (CID 12695689) is 3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole is Cc1cc(C)n(-c2nnc3c(n2)[nH]c2ccc(F)cc23)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole?
The InChIKey is VRRNVVWXHLJUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6/c1-7-5-8(2)21(20-7)14-17-13-12(18-19-14)10-6-9(15)3-4-11(10)16-13/h3-6H,1-2H3,(H,16,17,19).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole?
3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole has a molecular weight of 282.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole is sourced from PubChem (CID 12695689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).