3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole

C17H18N6 — CID 59010754

IUPAC3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole
SMILESCCc1c(C)nn(-c2nnc3c4ccccc4n(C)c3n2)c1C
InChIInChI=1S/C17H18N6/c1-5-12-10(2)21-23(11(12)3)17-18-16-15(19-20-17)13-8-6-7-9-14(13)22(16)4/h6-9H,5H2,1-4H3
InChIKeyAKOIFXVETWUWPA-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.88
Rot. Bonds2

About 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole

3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole (PubChem CID 59010754) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole.

Molecular Properties

Compound Name3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole
PubChem CID59010754
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole
SMILESCCc1c(C)nn(-c2nnc3c4ccccc4n(C)c3n2)c1C
InChIInChI=1S/C17H18N6/c1-5-12-10(2)21-23(11(12)3)17-18-16-15(19-20-17)13-8-6-7-9-14(13)22(16)4/h6-9H,5H2,1-4H3
InChIKeyAKOIFXVETWUWPA-UHFFFAOYSA-N
XLogP2.88
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole?
The IUPAC name of 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole (CID 59010754) is 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole.
What is the SMILES notation for 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole?
The canonical SMILES for 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole is CCc1c(C)nn(-c2nnc3c4ccccc4n(C)c3n2)c1C.
What is the InChIKey of 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole?
The InChIKey is AKOIFXVETWUWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-5-12-10(2)21-23(11(12)3)17-18-16-15(19-20-17)13-8-6-7-9-14(13)22(16)4/h6-9H,5H2,1-4H3.
What are the key properties of 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole?
3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole has a molecular weight of 306.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole is sourced from PubChem (CID 59010754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).