ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C13H12N6O2 — CID 1419083

IUPACethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(-c3ccncc3)nn2c1N
InChIInChI=1S/C13H12N6O2/c1-2-21-12(20)9-7-16-13-17-11(18-19(13)10(9)14)8-3-5-15-6-4-8/h3-7H,2,14H2,1H3
InChIKeyAMHAYPKQEGUUHP-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.95
Rot. Bonds3

About ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 1419083) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID1419083
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Nameethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(-c3ccncc3)nn2c1N
InChIInChI=1S/C13H12N6O2/c1-2-21-12(20)9-7-16-13-17-11(18-19(13)10(9)14)8-3-5-15-6-4-8/h3-7H,2,14H2,1H3
InChIKeyAMHAYPKQEGUUHP-UHFFFAOYSA-N
XLogP0.95
TPSA108.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 1419083) is ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2nc(-c3ccncc3)nn2c1N.
What is the InChIKey of ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is AMHAYPKQEGUUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-2-21-12(20)9-7-16-13-17-11(18-19(13)10(9)14)8-3-5-15-6-4-8/h3-7H,2,14H2,1H3.
What are the key properties of ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 284.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 1419083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).