2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile

C8H7N5 — CID 131307872

IUPAC2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile
SMILESN#CC(N)c1ccc2cncnn12
InChIInChI=1S/C8H7N5/c9-3-7(10)8-2-1-6-4-11-5-12-13(6)8/h1-2,4-5,7H,10H2
InChIKeyKVOLRNKVJDIAEN-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.25
Rot. Bonds1

About 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile

2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile (PubChem CID 131307872) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile.

Molecular Properties

Compound Name2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile
PubChem CID131307872
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC Name2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile
SMILESN#CC(N)c1ccc2cncnn12
InChIInChI=1S/C8H7N5/c9-3-7(10)8-2-1-6-4-11-5-12-13(6)8/h1-2,4-5,7H,10H2
InChIKeyKVOLRNKVJDIAEN-UHFFFAOYSA-N
XLogP0.25
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile?
The IUPAC name of 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile (CID 131307872) is 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile.
What is the SMILES notation for 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile?
The canonical SMILES for 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile is N#CC(N)c1ccc2cncnn12.
What is the InChIKey of 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile?
The InChIKey is KVOLRNKVJDIAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5/c9-3-7(10)8-2-1-6-4-11-5-12-13(6)8/h1-2,4-5,7H,10H2.
What are the key properties of 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile?
2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile has a molecular weight of 173.18 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetonitrile is sourced from PubChem (CID 131307872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).