5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole

C8H11N5 — CID 167826120

IUPAC5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole
SMILESCc1nn(C)cc1-c1cnnn1C
InChIInChI=1S/C8H11N5/c1-6-7(5-12(2)10-6)8-4-9-11-13(8)3/h4-5H,1-3H3
InChIKeyMMWSRABLKQASKN-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.52
Rot. Bonds1

About 5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole

5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole (PubChem CID 167826120) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole
PubChem CID167826120
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole
SMILESCc1nn(C)cc1-c1cnnn1C
InChIInChI=1S/C8H11N5/c1-6-7(5-12(2)10-6)8-4-9-11-13(8)3/h4-5H,1-3H3
InChIKeyMMWSRABLKQASKN-UHFFFAOYSA-N
XLogP0.52
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole (CID 167826120) is 5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole is Cc1nn(C)cc1-c1cnnn1C.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole?
The InChIKey is MMWSRABLKQASKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-6-7(5-12(2)10-6)8-4-9-11-13(8)3/h4-5H,1-3H3.
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole?
5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole has a molecular weight of 177.21 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)-1-methyltriazole is sourced from PubChem (CID 167826120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).