5-(1,2,4-triazol-4-yl)pyrimidine

C6H5N5 — CID 141287053

IUPAC5-(1,2,4-triazol-4-yl)pyrimidine
SMILESc1ncc(-n2cnnc2)cn1
InChIInChI=1S/C6H5N5/c1-6(2-8-3-7-1)11-4-9-10-5-11/h1-5H
InChIKeyBOBCPNZXKMZKIU-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.06
Rot. Bonds1

About 5-(1,2,4-triazol-4-yl)pyrimidine

5-(1,2,4-triazol-4-yl)pyrimidine (PubChem CID 141287053) has the molecular formula C6H5N5 and a molecular weight of 147.14 g/mol. Its IUPAC name is 5-(1,2,4-triazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-(1,2,4-triazol-4-yl)pyrimidine
PubChem CID141287053
Molecular FormulaC6H5N5
Molecular Weight147.14 g/mol
Exact Mass147.05
IUPAC Name5-(1,2,4-triazol-4-yl)pyrimidine
SMILESc1ncc(-n2cnnc2)cn1
InChIInChI=1S/C6H5N5/c1-6(2-8-3-7-1)11-4-9-10-5-11/h1-5H
InChIKeyBOBCPNZXKMZKIU-UHFFFAOYSA-N
XLogP0.06
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-triazol-4-yl)pyrimidine?
The IUPAC name of 5-(1,2,4-triazol-4-yl)pyrimidine (CID 141287053) is 5-(1,2,4-triazol-4-yl)pyrimidine.
What is the SMILES notation for 5-(1,2,4-triazol-4-yl)pyrimidine?
The canonical SMILES for 5-(1,2,4-triazol-4-yl)pyrimidine is c1ncc(-n2cnnc2)cn1.
What is the InChIKey of 5-(1,2,4-triazol-4-yl)pyrimidine?
The InChIKey is BOBCPNZXKMZKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5/c1-6(2-8-3-7-1)11-4-9-10-5-11/h1-5H.
What are the key properties of 5-(1,2,4-triazol-4-yl)pyrimidine?
5-(1,2,4-triazol-4-yl)pyrimidine has a molecular weight of 147.14 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-triazol-4-yl)pyrimidine is sourced from PubChem (CID 141287053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).