2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine

C7H6ClN3 — CID 141121247

IUPAC2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine
SMILESCc1ccn2nc(Cl)ncc12
InChIInChI=1S/C7H6ClN3/c1-5-2-3-11-6(5)4-9-7(8)10-11/h2-4H,1H3
InChIKeyLBFLRSFBAOAGCQ-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.69
Rot. Bonds

About 2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine

2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 141121247) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID141121247
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine
SMILESCc1ccn2nc(Cl)ncc12
InChIInChI=1S/C7H6ClN3/c1-5-2-3-11-6(5)4-9-7(8)10-11/h2-4H,1H3
InChIKeyLBFLRSFBAOAGCQ-UHFFFAOYSA-N
XLogP1.69
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine (CID 141121247) is 2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine is Cc1ccn2nc(Cl)ncc12.
What is the InChIKey of 2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is LBFLRSFBAOAGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-5-2-3-11-6(5)4-9-7(8)10-11/h2-4H,1H3.
What are the key properties of 2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine?
2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 167.60 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 141121247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).