5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H11N5O — CID 53259243

IUPAC5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NOc2ccccc2)n2ncnc2n1
InChIInChI=1S/C12H11N5O/c1-9-7-11(17-12(15-9)13-8-14-17)16-18-10-5-3-2-4-6-10/h2-8,16H,1H3
InChIKeyWEPBGXVZVCLJHO-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.84
Rot. Bonds3

About 5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53259243) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID53259243
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NOc2ccccc2)n2ncnc2n1
InChIInChI=1S/C12H11N5O/c1-9-7-11(17-12(15-9)13-8-14-17)16-18-10-5-3-2-4-6-10/h2-8,16H,1H3
InChIKeyWEPBGXVZVCLJHO-UHFFFAOYSA-N
XLogP1.84
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 53259243) is 5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NOc2ccccc2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WEPBGXVZVCLJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-9-7-11(17-12(15-9)13-8-14-17)16-18-10-5-3-2-4-6-10/h2-8,16H,1H3.
What are the key properties of 5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 241.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53259243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).