5-(2H-triazol-4-yl)pyrimidine

C6H5N5 — CID 67380455

IUPAC5-(2H-triazol-4-yl)pyrimidine
SMILESc1ncc(-c2cn[nH]n2)cn1
InChIInChI=1S/C6H5N5/c1-5(2-8-4-7-1)6-3-9-11-10-6/h1-4H,(H,9,10,11)
InChIKeyOOVBOIHDXRHESU-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.26
Rot. Bonds1

About 5-(2H-triazol-4-yl)pyrimidine

5-(2H-triazol-4-yl)pyrimidine (PubChem CID 67380455) has the molecular formula C6H5N5 and a molecular weight of 147.14 g/mol. Its IUPAC name is 5-(2H-triazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-(2H-triazol-4-yl)pyrimidine
PubChem CID67380455
Molecular FormulaC6H5N5
Molecular Weight147.14 g/mol
Exact Mass147.05
IUPAC Name5-(2H-triazol-4-yl)pyrimidine
SMILESc1ncc(-c2cn[nH]n2)cn1
InChIInChI=1S/C6H5N5/c1-5(2-8-4-7-1)6-3-9-11-10-6/h1-4H,(H,9,10,11)
InChIKeyOOVBOIHDXRHESU-UHFFFAOYSA-N
XLogP0.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-triazol-4-yl)pyrimidine?
The IUPAC name of 5-(2H-triazol-4-yl)pyrimidine (CID 67380455) is 5-(2H-triazol-4-yl)pyrimidine.
What is the SMILES notation for 5-(2H-triazol-4-yl)pyrimidine?
The canonical SMILES for 5-(2H-triazol-4-yl)pyrimidine is c1ncc(-c2cn[nH]n2)cn1.
What is the InChIKey of 5-(2H-triazol-4-yl)pyrimidine?
The InChIKey is OOVBOIHDXRHESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5/c1-5(2-8-4-7-1)6-3-9-11-10-6/h1-4H,(H,9,10,11).
What are the key properties of 5-(2H-triazol-4-yl)pyrimidine?
5-(2H-triazol-4-yl)pyrimidine has a molecular weight of 147.14 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-triazol-4-yl)pyrimidine is sourced from PubChem (CID 67380455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).