4-chloropyrrolo[2,1-f][1,2,4]triazine

C6H4ClN3 — CID 21081683

IUPAC4-chloropyrrolo[2,1-f][1,2,4]triazine
SMILESClc1ncnn2cccc12
InChIInChI=1S/C6H4ClN3/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H
InChIKeyONTLBVKRDUFQFP-UHFFFAOYSA-N
MW153.57 g/mol
LogP1.38
Rot. Bonds

About 4-chloropyrrolo[2,1-f][1,2,4]triazine

4-chloropyrrolo[2,1-f][1,2,4]triazine (PubChem CID 21081683) has the molecular formula C6H4ClN3 and a molecular weight of 153.57 g/mol. Its IUPAC name is 4-chloropyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-chloropyrrolo[2,1-f][1,2,4]triazine
PubChem CID21081683
Molecular FormulaC6H4ClN3
Molecular Weight153.57 g/mol
Exact Mass153.01
IUPAC Name4-chloropyrrolo[2,1-f][1,2,4]triazine
SMILESClc1ncnn2cccc12
InChIInChI=1S/C6H4ClN3/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H
InChIKeyONTLBVKRDUFQFP-UHFFFAOYSA-N
XLogP1.38
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.57
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloropyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-chloropyrrolo[2,1-f][1,2,4]triazine (CID 21081683) is 4-chloropyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-chloropyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-chloropyrrolo[2,1-f][1,2,4]triazine is Clc1ncnn2cccc12.
What is the InChIKey of 4-chloropyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is ONTLBVKRDUFQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H.
What are the key properties of 4-chloropyrrolo[2,1-f][1,2,4]triazine?
4-chloropyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 153.57 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 21081683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).