2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline

C13H8N6 — CID 175889904

IUPAC2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESc1ccc2c(c1)ncn1nc(-c3cncnc3)nc21
InChIInChI=1S/C13H8N6/c1-2-4-11-10(3-1)13-17-12(18-19(13)8-16-11)9-5-14-7-15-6-9/h1-8H
InChIKeyVXHDFPRFKCDMSJ-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.73
Rot. Bonds1

About 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline

2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 175889904) has the molecular formula C13H8N6 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID175889904
Molecular FormulaC13H8N6
Molecular Weight248.25 g/mol
Exact Mass248.08
IUPAC Name2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESc1ccc2c(c1)ncn1nc(-c3cncnc3)nc21
InChIInChI=1S/C13H8N6/c1-2-4-11-10(3-1)13-17-12(18-19(13)8-16-11)9-5-14-7-15-6-9/h1-8H
InChIKeyVXHDFPRFKCDMSJ-UHFFFAOYSA-N
XLogP1.73
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline (CID 175889904) is 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline is c1ccc2c(c1)ncn1nc(-c3cncnc3)nc21.
What is the InChIKey of 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is VXHDFPRFKCDMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N6/c1-2-4-11-10(3-1)13-17-12(18-19(13)8-16-11)9-5-14-7-15-6-9/h1-8H.
What are the key properties of 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline?
2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 248.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 175889904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).