4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole

C7H9N5 — CID 115395305

IUPAC4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole
SMILESCn1cc(-c2nncn2C)cn1
InChIInChI=1S/C7H9N5/c1-11-5-8-10-7(11)6-3-9-12(2)4-6/h3-5H,1-2H3
InChIKeyCQQMSSDXIQYNGF-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.22
Rot. Bonds1

About 4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole

4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole (PubChem CID 115395305) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole
PubChem CID115395305
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole
SMILESCn1cc(-c2nncn2C)cn1
InChIInChI=1S/C7H9N5/c1-11-5-8-10-7(11)6-3-9-12(2)4-6/h3-5H,1-2H3
InChIKeyCQQMSSDXIQYNGF-UHFFFAOYSA-N
XLogP0.22
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The IUPAC name of 4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole (CID 115395305) is 4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole is Cn1cc(-c2nncn2C)cn1.
What is the InChIKey of 4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The InChIKey is CQQMSSDXIQYNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-11-5-8-10-7(11)6-3-9-12(2)4-6/h3-5H,1-2H3.
What are the key properties of 4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole?
4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole has a molecular weight of 163.18 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-methylpyrazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 115395305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).