1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol

C12H17N3O — CID 58071285

IUPAC1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol
SMILESCCCCC(O)c1ccc2cnc(C)nn12
InChIInChI=1S/C12H17N3O/c1-3-4-5-12(16)11-7-6-10-8-13-9(2)14-15(10)11/h6-8,12,16H,3-5H2,1-2H3
InChIKeyYQOUHKNXHGSHCX-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.26
Rot. Bonds4

About 1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol

1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol (PubChem CID 58071285) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol
PubChem CID58071285
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol
SMILESCCCCC(O)c1ccc2cnc(C)nn12
InChIInChI=1S/C12H17N3O/c1-3-4-5-12(16)11-7-6-10-8-13-9(2)14-15(10)11/h6-8,12,16H,3-5H2,1-2H3
InChIKeyYQOUHKNXHGSHCX-UHFFFAOYSA-N
XLogP2.26
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol?
The IUPAC name of 1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol (CID 58071285) is 1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol.
What is the SMILES notation for 1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol?
The canonical SMILES for 1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol is CCCCC(O)c1ccc2cnc(C)nn12.
What is the InChIKey of 1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol?
The InChIKey is YQOUHKNXHGSHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-4-5-12(16)11-7-6-10-8-13-9(2)14-15(10)11/h6-8,12,16H,3-5H2,1-2H3.
What are the key properties of 1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol?
1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol has a molecular weight of 219.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol is sourced from PubChem (CID 58071285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).