4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole

C11H10N5+ — CID 173358496

IUPAC4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole
SMILESC1=C[NH+](c2n[nH]nc2-c2ccccc2)N=C1
InChIInChI=1S/C11H9N5/c1-2-5-9(6-3-1)10-11(14-15-13-10)16-8-4-7-12-16/h1-8H,(H,13,14,15)/p+1
InChIKeyRBHWNXLDRMFTHJ-UHFFFAOYSA-O
MW212.24 g/mol
LogP0.50
Rot. Bonds2

About 4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole

4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole (PubChem CID 173358496) has the molecular formula C11H10N5+ and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole.

Molecular Properties

Compound Name4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole
PubChem CID173358496
Molecular FormulaC11H10N5+
Molecular Weight212.24 g/mol
Exact Mass212.09
IUPAC Name4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole
SMILESC1=C[NH+](c2n[nH]nc2-c2ccccc2)N=C1
InChIInChI=1S/C11H9N5/c1-2-5-9(6-3-1)10-11(14-15-13-10)16-8-4-7-12-16/h1-8H,(H,13,14,15)/p+1
InChIKeyRBHWNXLDRMFTHJ-UHFFFAOYSA-O
XLogP0.50
TPSA58.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole?
The IUPAC name of 4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole (CID 173358496) is 4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole.
What is the SMILES notation for 4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole?
The canonical SMILES for 4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole is C1=C[NH+](c2n[nH]nc2-c2ccccc2)N=C1.
What is the InChIKey of 4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole?
The InChIKey is RBHWNXLDRMFTHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H9N5/c1-2-5-9(6-3-1)10-11(14-15-13-10)16-8-4-7-12-16/h1-8H,(H,13,14,15)/p+1.
What are the key properties of 4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole?
4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole has a molecular weight of 212.24 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(1H-pyrazol-1-ium-1-yl)-2H-triazole is sourced from PubChem (CID 173358496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).