6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane

C10H14ClN3O — CID 163274616

IUPAC6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane
SMILESCC.COc1c(Cl)cn2ncnc(C)c12
InChIInChI=1S/C8H8ClN3O.C2H6/c1-5-7-8(13-2)6(9)3-12(7)11-4-10-5;1-2/h3-4H,1-2H3;1-2H3
InChIKeyYQNUYOZSUOOYOH-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.73
Rot. Bonds1

About 6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane

6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane (PubChem CID 163274616) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane.

Molecular Properties

Compound Name6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane
PubChem CID163274616
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane
SMILESCC.COc1c(Cl)cn2ncnc(C)c12
InChIInChI=1S/C8H8ClN3O.C2H6/c1-5-7-8(13-2)6(9)3-12(7)11-4-10-5;1-2/h3-4H,1-2H3;1-2H3
InChIKeyYQNUYOZSUOOYOH-UHFFFAOYSA-N
XLogP2.73
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane?
The IUPAC name of 6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane (CID 163274616) is 6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane.
What is the SMILES notation for 6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane?
The canonical SMILES for 6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane is CC.COc1c(Cl)cn2ncnc(C)c12.
What is the InChIKey of 6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane?
The InChIKey is YQNUYOZSUOOYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O.C2H6/c1-5-7-8(13-2)6(9)3-12(7)11-4-10-5;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane?
6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane has a molecular weight of 227.69 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-4-methylpyrrolo[2,1-f][1,2,4]triazine;ethane is sourced from PubChem (CID 163274616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).