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

C20H15N5 — CID 24882195

IUPACN-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1
InChIInChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3
InChIKeyOXYDLVAOXASTMW-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.48
Rot. Bonds2

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

N-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24882195) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID24882195
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC NameN-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1
InChIInChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3
InChIKeyOXYDLVAOXASTMW-UHFFFAOYSA-N
XLogP4.48
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 24882195) is N-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1.
What is the InChIKey of N-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OXYDLVAOXASTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3.
What are the key properties of N-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 325.38 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24882195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).