6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine

C7H8N4 — CID 68709462

IUPAC6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESC=CN1C=Cc2ncnn2C1
InChIInChI=1S/C7H8N4/c1-2-10-4-3-7-8-5-9-11(7)6-10/h2-5H,1,6H2
InChIKeyCPKLRSOYTYVHPE-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.67
Rot. Bonds1

About 6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine

6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 68709462) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID68709462
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESC=CN1C=Cc2ncnn2C1
InChIInChI=1S/C7H8N4/c1-2-10-4-3-7-8-5-9-11(7)6-10/h2-5H,1,6H2
InChIKeyCPKLRSOYTYVHPE-UHFFFAOYSA-N
XLogP0.67
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine (CID 68709462) is 6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine is C=CN1C=Cc2ncnn2C1.
What is the InChIKey of 6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is CPKLRSOYTYVHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-2-10-4-3-7-8-5-9-11(7)6-10/h2-5H,1,6H2.
What are the key properties of 6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine?
6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 148.17 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 68709462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).