N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline

C12H11N5 — CID 54924493

IUPACN-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline
SMILESc1ccc(NCc2nnc3cnccn23)cc1
InChIInChI=1S/C12H11N5/c1-2-4-10(5-3-1)14-9-12-16-15-11-8-13-6-7-17(11)12/h1-8,14H,9H2
InChIKeyCYOSVKVKTRNYLK-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.74
Rot. Bonds3

About N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline

N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline (PubChem CID 54924493) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline
PubChem CID54924493
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC NameN-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline
SMILESc1ccc(NCc2nnc3cnccn23)cc1
InChIInChI=1S/C12H11N5/c1-2-4-10(5-3-1)14-9-12-16-15-11-8-13-6-7-17(11)12/h1-8,14H,9H2
InChIKeyCYOSVKVKTRNYLK-UHFFFAOYSA-N
XLogP1.74
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline?
The IUPAC name of N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline (CID 54924493) is N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline.
What is the SMILES notation for N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline?
The canonical SMILES for N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline is c1ccc(NCc2nnc3cnccn23)cc1.
What is the InChIKey of N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline?
The InChIKey is CYOSVKVKTRNYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-2-4-10(5-3-1)14-9-12-16-15-11-8-13-6-7-17(11)12/h1-8,14H,9H2.
What are the key properties of N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline?
N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline has a molecular weight of 225.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline is sourced from PubChem (CID 54924493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).