3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole

C9H13N5 — CID 605549

IUPAC3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole
SMILESCCc1nc(-n2nc(C)cc2C)n[nH]1
InChIInChI=1S/C9H13N5/c1-4-8-10-9(12-11-8)14-7(3)5-6(2)13-14/h5H,4H2,1-3H3,(H,10,11,12)
InChIKeyBKJLZFRIGHGEHF-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.17
Rot. Bonds2

About 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole

3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole (PubChem CID 605549) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole
PubChem CID605549
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole
SMILESCCc1nc(-n2nc(C)cc2C)n[nH]1
InChIInChI=1S/C9H13N5/c1-4-8-10-9(12-11-8)14-7(3)5-6(2)13-14/h5H,4H2,1-3H3,(H,10,11,12)
InChIKeyBKJLZFRIGHGEHF-UHFFFAOYSA-N
XLogP1.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole (CID 605549) is 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole is CCc1nc(-n2nc(C)cc2C)n[nH]1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole?
The InChIKey is BKJLZFRIGHGEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-4-8-10-9(12-11-8)14-7(3)5-6(2)13-14/h5H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole?
3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole has a molecular weight of 191.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1H-1,2,4-triazole is sourced from PubChem (CID 605549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).