5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C12H12N6 — CID 14685674

IUPAC5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCc1cnc(-c2cccc(N)c2)n2nc(N)nc12
InChIInChI=1S/C12H12N6/c1-7-6-15-11(8-3-2-4-9(13)5-8)18-10(7)16-12(14)17-18/h2-6H,13H2,1H3,(H2,14,17)
InChIKeyIEZGKJGOYBOYSH-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.26
Rot. Bonds1

About 5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 14685674) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID14685674
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCc1cnc(-c2cccc(N)c2)n2nc(N)nc12
InChIInChI=1S/C12H12N6/c1-7-6-15-11(8-3-2-4-9(13)5-8)18-10(7)16-12(14)17-18/h2-6H,13H2,1H3,(H2,14,17)
InChIKeyIEZGKJGOYBOYSH-UHFFFAOYSA-N
XLogP1.26
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of 5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 14685674) is 5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for 5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is Cc1cnc(-c2cccc(N)c2)n2nc(N)nc12.
What is the InChIKey of 5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is IEZGKJGOYBOYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-7-6-15-11(8-3-2-4-9(13)5-8)18-10(7)16-12(14)17-18/h2-6H,13H2,1H3,(H2,14,17).
What are the key properties of 5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 240.27 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 14685674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).