2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile

C9H8ClN5 — CID 176688588

IUPAC2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile
SMILESCCc1c(C#N)c(Cl)c2cnc(N)nn12
InChIInChI=1S/C9H8ClN5/c1-2-6-5(3-11)8(10)7-4-13-9(12)14-15(6)7/h4H,2H2,1H3,(H2,12,14)
InChIKeyCPWURBUCKAQIPS-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.40
Rot. Bonds1

About 2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile

2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile (PubChem CID 176688588) has the molecular formula C9H8ClN5 and a molecular weight of 221.65 g/mol. Its IUPAC name is 2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile.

Molecular Properties

Compound Name2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile
PubChem CID176688588
Molecular FormulaC9H8ClN5
Molecular Weight221.65 g/mol
Exact Mass221.05
IUPAC Name2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile
SMILESCCc1c(C#N)c(Cl)c2cnc(N)nn12
InChIInChI=1S/C9H8ClN5/c1-2-6-5(3-11)8(10)7-4-13-9(12)14-15(6)7/h4H,2H2,1H3,(H2,12,14)
InChIKeyCPWURBUCKAQIPS-UHFFFAOYSA-N
XLogP1.40
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile?
The IUPAC name of 2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile (CID 176688588) is 2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile.
What is the SMILES notation for 2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile?
The canonical SMILES for 2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile is CCc1c(C#N)c(Cl)c2cnc(N)nn12.
What is the InChIKey of 2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile?
The InChIKey is CPWURBUCKAQIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5/c1-2-6-5(3-11)8(10)7-4-13-9(12)14-15(6)7/h4H,2H2,1H3,(H2,12,14).
What are the key properties of 2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile?
2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile has a molecular weight of 221.65 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-7-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile is sourced from PubChem (CID 176688588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).