(5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol

C8H9N3O — CID 141136816

IUPAC(5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol
SMILESCc1c(CO)cn2ncncc12
InChIInChI=1S/C8H9N3O/c1-6-7(4-12)3-11-8(6)2-9-5-10-11/h2-3,5,12H,4H2,1H3
InChIKeyDBLCSEKTBOWGKK-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.53
Rot. Bonds1

About (5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol

(5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol (PubChem CID 141136816) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is (5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol.

Molecular Properties

Compound Name(5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol
PubChem CID141136816
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name(5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol
SMILESCc1c(CO)cn2ncncc12
InChIInChI=1S/C8H9N3O/c1-6-7(4-12)3-11-8(6)2-9-5-10-11/h2-3,5,12H,4H2,1H3
InChIKeyDBLCSEKTBOWGKK-UHFFFAOYSA-N
XLogP0.53
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol?
The IUPAC name of (5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol (CID 141136816) is (5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol.
What is the SMILES notation for (5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol?
The canonical SMILES for (5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol is Cc1c(CO)cn2ncncc12.
What is the InChIKey of (5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol?
The InChIKey is DBLCSEKTBOWGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-6-7(4-12)3-11-8(6)2-9-5-10-11/h2-3,5,12H,4H2,1H3.
What are the key properties of (5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol?
(5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol has a molecular weight of 163.18 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)methanol is sourced from PubChem (CID 141136816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).