5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one

C11H7ClN4O — CID 123195529

IUPAC5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1c2c(Cl)ccn2ncn1-c1ccccn1
InChIInChI=1S/C11H7ClN4O/c12-8-4-6-16-10(8)11(17)15(7-14-16)9-3-1-2-5-13-9/h1-7H
InChIKeyBMUYFSLMURPTKL-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.53
Rot. Bonds1

About 5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one

5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 123195529) has the molecular formula C11H7ClN4O and a molecular weight of 246.66 g/mol. Its IUPAC name is 5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID123195529
Molecular FormulaC11H7ClN4O
Molecular Weight246.66 g/mol
Exact Mass246.03
IUPAC Name5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1c2c(Cl)ccn2ncn1-c1ccccn1
InChIInChI=1S/C11H7ClN4O/c12-8-4-6-16-10(8)11(17)15(7-14-16)9-3-1-2-5-13-9/h1-7H
InChIKeyBMUYFSLMURPTKL-UHFFFAOYSA-N
XLogP1.53
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one (CID 123195529) is 5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one is O=c1c2c(Cl)ccn2ncn1-c1ccccn1.
What is the InChIKey of 5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is BMUYFSLMURPTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O/c12-8-4-6-16-10(8)11(17)15(7-14-16)9-3-1-2-5-13-9/h1-7H.
What are the key properties of 5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one?
5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 246.66 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 123195529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).