ethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C14H13N5O2 — CID 17079438

IUPACethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(-c3cccnc3)nc2nc1C
InChIInChI=1S/C14H13N5O2/c1-3-21-13(20)11-8-19-14(16-9(11)2)17-12(18-19)10-5-4-6-15-7-10/h4-8H,3H2,1-2H3
InChIKeyCQVVDSBYEFHGLH-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.67
Rot. Bonds3

About ethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 17079438) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID17079438
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Nameethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(-c3cccnc3)nc2nc1C
InChIInChI=1S/C14H13N5O2/c1-3-21-13(20)11-8-19-14(16-9(11)2)17-12(18-19)10-5-4-6-15-7-10/h4-8H,3H2,1-2H3
InChIKeyCQVVDSBYEFHGLH-UHFFFAOYSA-N
XLogP1.67
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 17079438) is ethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cn2nc(-c3cccnc3)nc2nc1C.
What is the InChIKey of ethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is CQVVDSBYEFHGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-3-21-13(20)11-8-19-14(16-9(11)2)17-12(18-19)10-5-4-6-15-7-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 17079438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).