ethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

C14H13N5O2 — CID 162654468

IUPACethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1cnc(N)n2nc(-c3ccccc3)nc12
InChIInChI=1S/C14H13N5O2/c1-2-21-13(20)10-8-16-14(15)19-12(10)17-11(18-19)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,15,16)
InChIKeyTWMAPMFOTZVWCT-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.55
Rot. Bonds3

About ethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

ethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate (PubChem CID 162654468) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
PubChem CID162654468
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Nameethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1cnc(N)n2nc(-c3ccccc3)nc12
InChIInChI=1S/C14H13N5O2/c1-2-21-13(20)10-8-16-14(15)19-12(10)17-11(18-19)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,15,16)
InChIKeyTWMAPMFOTZVWCT-UHFFFAOYSA-N
XLogP1.55
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate (CID 162654468) is ethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is CCOC(=O)c1cnc(N)n2nc(-c3ccccc3)nc12.
What is the InChIKey of ethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The InChIKey is TWMAPMFOTZVWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-2-21-13(20)10-8-16-14(15)19-12(10)17-11(18-19)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,15,16).
What are the key properties of ethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
ethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is sourced from PubChem (CID 162654468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).