5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole

C6H8N5+ — CID 173358508

IUPAC5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole
SMILESCc1nc([NH+]2C=CC=N2)n[nH]1
InChIInChI=1S/C6H7N5/c1-5-8-6(10-9-5)11-4-2-3-7-11/h2-4H,1H3,(H,8,9,10)/p+1
InChIKeyDGRIOUCFYDNUTN-UHFFFAOYSA-O
MW150.16 g/mol
LogP-0.86
Rot. Bonds1

About 5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole

5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole (PubChem CID 173358508) has the molecular formula C6H8N5+ and a molecular weight of 150.16 g/mol. Its IUPAC name is 5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole
PubChem CID173358508
Molecular FormulaC6H8N5+
Molecular Weight150.16 g/mol
Exact Mass150.08
IUPAC Name5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole
SMILESCc1nc([NH+]2C=CC=N2)n[nH]1
InChIInChI=1S/C6H7N5/c1-5-8-6(10-9-5)11-4-2-3-7-11/h2-4H,1H3,(H,8,9,10)/p+1
InChIKeyDGRIOUCFYDNUTN-UHFFFAOYSA-O
XLogP-0.86
TPSA58.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole (CID 173358508) is 5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole is Cc1nc([NH+]2C=CC=N2)n[nH]1.
What is the InChIKey of 5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole?
The InChIKey is DGRIOUCFYDNUTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7N5/c1-5-8-6(10-9-5)11-4-2-3-7-11/h2-4H,1H3,(H,8,9,10)/p+1.
What are the key properties of 5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole?
5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole has a molecular weight of 150.16 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 173358508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).