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

C9H10N4O2 — CID 131615795

IUPACmethyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate
SMILESCOC(=O)C(N)c1ccc2cncnn12
InChIInChI=1S/C9H10N4O2/c1-15-9(14)8(10)7-3-2-6-4-11-5-12-13(6)7/h2-5,8H,10H2,1H3
InChIKeyITPBQSVDKDSHNJ-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.10
Rot. Bonds2

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

methyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate (PubChem CID 131615795) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is methyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate.

Molecular Properties

Compound Namemethyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate
PubChem CID131615795
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Namemethyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate
SMILESCOC(=O)C(N)c1ccc2cncnn12
InChIInChI=1S/C9H10N4O2/c1-15-9(14)8(10)7-3-2-6-4-11-5-12-13(6)7/h2-5,8H,10H2,1H3
InChIKeyITPBQSVDKDSHNJ-UHFFFAOYSA-N
XLogP-0.10
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate?
The IUPAC name of methyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate (CID 131615795) is methyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate.
What is the SMILES notation for methyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate?
The canonical SMILES for methyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate is COC(=O)C(N)c1ccc2cncnn12.
What is the InChIKey of methyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate?
The InChIKey is ITPBQSVDKDSHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-15-9(14)8(10)7-3-2-6-4-11-5-12-13(6)7/h2-5,8H,10H2,1H3.
What are the key properties of methyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate?
methyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate has a molecular weight of 206.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate is sourced from PubChem (CID 131615795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).