3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline

C15H12N6 — CID 39755643

IUPAC3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCCc1ncc(-c2nnc3c4ccccc4ncn23)cn1
InChIInChI=1S/C15H12N6/c1-2-13-16-7-10(8-17-13)14-19-20-15-11-5-3-4-6-12(11)18-9-21(14)15/h3-9H,2H2,1H3
InChIKeyJJADWGZCMIUWRO-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.30
Rot. Bonds2

About 3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline

3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 39755643) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID39755643
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCCc1ncc(-c2nnc3c4ccccc4ncn23)cn1
InChIInChI=1S/C15H12N6/c1-2-13-16-7-10(8-17-13)14-19-20-15-11-5-3-4-6-12(11)18-9-21(14)15/h3-9H,2H2,1H3
InChIKeyJJADWGZCMIUWRO-UHFFFAOYSA-N
XLogP2.30
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline (CID 39755643) is 3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline is CCc1ncc(-c2nnc3c4ccccc4ncn23)cn1.
What is the InChIKey of 3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is JJADWGZCMIUWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-2-13-16-7-10(8-17-13)14-19-20-15-11-5-3-4-6-12(11)18-9-21(14)15/h3-9H,2H2,1H3.
What are the key properties of 3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 276.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 39755643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).