2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C9H6N6 — CID 155817864

IUPAC2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1cnc2nc(-c3cncnc3)nn2c1
InChIInChI=1S/C9H6N6/c1-2-12-9-13-8(14-15(9)3-1)7-4-10-6-11-5-7/h1-6H
InChIKeyDGZABJNMSNHGEO-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.58
Rot. Bonds1

About 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine

2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 155817864) has the molecular formula C9H6N6 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID155817864
Molecular FormulaC9H6N6
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1cnc2nc(-c3cncnc3)nn2c1
InChIInChI=1S/C9H6N6/c1-2-12-9-13-8(14-15(9)3-1)7-4-10-6-11-5-7/h1-6H
InChIKeyDGZABJNMSNHGEO-UHFFFAOYSA-N
XLogP0.58
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one
CID 135966836
3-[4-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridin-1-ium-1-yl]propanoic acid
CID 156748765
ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 90849643
2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 150537386
2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889904
2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84671641
2-pyrimidin-5-ylpyrido[2,3-d]pyrimidine
CID 123157020
2-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 134010697
2-pyridin-3-ylimidazo[1,2-a]pyrimidine
CID 10035574
2-[5-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50980083
2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline
CID 24626644
2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 51111566

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 155817864) is 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine is c1cnc2nc(-c3cncnc3)nn2c1.
What is the InChIKey of 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DGZABJNMSNHGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6/c1-2-12-9-13-8(14-15(9)3-1)7-4-10-6-11-5-7/h1-6H.
What are the key properties of 2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 198.19 g/mol, XLogP of 0.58, 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-a]pyrimidine is sourced from PubChem (CID 155817864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).