2-pyrazol-1-yl-1,3,5-triazine

C6H5N5 — CID 57211484

IUPAC2-pyrazol-1-yl-1,3,5-triazine
SMILESc1cnn(-c2ncncn2)c1
InChIInChI=1S/C6H5N5/c1-2-10-11(3-1)6-8-4-7-5-9-6/h1-5H
InChIKeyXCCVKJXEFJLDAS-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.06
Rot. Bonds1

About 2-pyrazol-1-yl-1,3,5-triazine

2-pyrazol-1-yl-1,3,5-triazine (PubChem CID 57211484) has the molecular formula C6H5N5 and a molecular weight of 147.14 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-pyrazol-1-yl-1,3,5-triazine
PubChem CID57211484
Molecular FormulaC6H5N5
Molecular Weight147.14 g/mol
Exact Mass147.05
IUPAC Name2-pyrazol-1-yl-1,3,5-triazine
SMILESc1cnn(-c2ncncn2)c1
InChIInChI=1S/C6H5N5/c1-2-10-11(3-1)6-8-4-7-5-9-6/h1-5H
InChIKeyXCCVKJXEFJLDAS-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 2-pyrazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-pyrazol-1-yl-1,3,5-triazine (CID 57211484) is 2-pyrazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-pyrazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-pyrazol-1-yl-1,3,5-triazine is c1cnn(-c2ncncn2)c1.
What is the InChIKey of 2-pyrazol-1-yl-1,3,5-triazine?
The InChIKey is XCCVKJXEFJLDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5/c1-2-10-11(3-1)6-8-4-7-5-9-6/h1-5H.
What are the key properties of 2-pyrazol-1-yl-1,3,5-triazine?
2-pyrazol-1-yl-1,3,5-triazine 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 2-pyrazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 57211484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).