1-(3-ethylpyrazol-3-yl)-1,2,4-triazole

C7H9N5 — CID 90684808

IUPAC1-(3-ethylpyrazol-3-yl)-1,2,4-triazole
SMILESCCC1(n2cncn2)C=CN=N1
InChIInChI=1S/C7H9N5/c1-2-7(3-4-9-11-7)12-6-8-5-10-12/h3-6H,2H2,1H3
InChIKeyBMVYDGNXQADLJR-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.32
Rot. Bonds2

About 1-(3-ethylpyrazol-3-yl)-1,2,4-triazole

1-(3-ethylpyrazol-3-yl)-1,2,4-triazole (PubChem CID 90684808) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-(3-ethylpyrazol-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(3-ethylpyrazol-3-yl)-1,2,4-triazole
PubChem CID90684808
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name1-(3-ethylpyrazol-3-yl)-1,2,4-triazole
SMILESCCC1(n2cncn2)C=CN=N1
InChIInChI=1S/C7H9N5/c1-2-7(3-4-9-11-7)12-6-8-5-10-12/h3-6H,2H2,1H3
InChIKeyBMVYDGNXQADLJR-UHFFFAOYSA-N
XLogP1.32
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrazol-3-yl)-1,2,4-triazole?
The IUPAC name of 1-(3-ethylpyrazol-3-yl)-1,2,4-triazole (CID 90684808) is 1-(3-ethylpyrazol-3-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(3-ethylpyrazol-3-yl)-1,2,4-triazole?
The canonical SMILES for 1-(3-ethylpyrazol-3-yl)-1,2,4-triazole is CCC1(n2cncn2)C=CN=N1.
What is the InChIKey of 1-(3-ethylpyrazol-3-yl)-1,2,4-triazole?
The InChIKey is BMVYDGNXQADLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-2-7(3-4-9-11-7)12-6-8-5-10-12/h3-6H,2H2,1H3.
What are the key properties of 1-(3-ethylpyrazol-3-yl)-1,2,4-triazole?
1-(3-ethylpyrazol-3-yl)-1,2,4-triazole has a molecular weight of 163.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrazol-3-yl)-1,2,4-triazole is sourced from PubChem (CID 90684808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).