7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline

C14H17FN4 — CID 170960631

IUPAC7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline
SMILESCc1nc2n(n1)-c1ccc(F)c(C(C)C)c1N(C)C2
InChIInChI=1S/C14H17FN4/c1-8(2)13-10(15)5-6-11-14(13)18(4)7-12-16-9(3)17-19(11)12/h5-6,8H,7H2,1-4H3
InChIKeyKZXDFUGOHYHUCK-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.79
Rot. Bonds1

About 7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline

7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline (PubChem CID 170960631) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline
PubChem CID170960631
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline
SMILESCc1nc2n(n1)-c1ccc(F)c(C(C)C)c1N(C)C2
InChIInChI=1S/C14H17FN4/c1-8(2)13-10(15)5-6-11-14(13)18(4)7-12-16-9(3)17-19(11)12/h5-6,8H,7H2,1-4H3
InChIKeyKZXDFUGOHYHUCK-UHFFFAOYSA-N
XLogP2.79
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline?
The IUPAC name of 7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline (CID 170960631) is 7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline.
What is the SMILES notation for 7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline?
The canonical SMILES for 7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline is Cc1nc2n(n1)-c1ccc(F)c(C(C)C)c1N(C)C2.
What is the InChIKey of 7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline?
The InChIKey is KZXDFUGOHYHUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-8(2)13-10(15)5-6-11-14(13)18(4)7-12-16-9(3)17-19(11)12/h5-6,8H,7H2,1-4H3.
What are the key properties of 7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline?
7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline has a molecular weight of 260.32 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline is sourced from PubChem (CID 170960631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).