5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole

C12H19N5 — CID 82699222

IUPAC5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole
SMILESCCc1cc(CC)n(Cc2ncnn2CC)n1
InChIInChI=1S/C12H19N5/c1-4-10-7-11(5-2)17(15-10)8-12-13-9-14-16(12)6-3/h7,9H,4-6,8H2,1-3H3
InChIKeyWYZQWYAWGATDDQ-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.67
Rot. Bonds5

About 5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole

5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole (PubChem CID 82699222) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole
PubChem CID82699222
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole
SMILESCCc1cc(CC)n(Cc2ncnn2CC)n1
InChIInChI=1S/C12H19N5/c1-4-10-7-11(5-2)17(15-10)8-12-13-9-14-16(12)6-3/h7,9H,4-6,8H2,1-3H3
InChIKeyWYZQWYAWGATDDQ-UHFFFAOYSA-N
XLogP1.67
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
[1-(1,3-diethylpyrazol-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105318519
5-[[4-(chloromethyl)-3,5-diethylpyrazol-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 82700774
5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79542440
4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole
CID 82700131
2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole
CID 82699096
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
3,5-diethyl-1-propylpyrazole
CID 82699697
6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 116788353
5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218301
1-(3,5-diethylpyrazol-1-yl)propan-2-ol
CID 82694148
4-[(3,5-diethylpyrazol-1-yl)methyl]aniline
CID 82692087

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole?
The IUPAC name of 5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole (CID 82699222) is 5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole.
What is the SMILES notation for 5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole?
The canonical SMILES for 5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole is CCc1cc(CC)n(Cc2ncnn2CC)n1.
What is the InChIKey of 5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole?
The InChIKey is WYZQWYAWGATDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-10-7-11(5-2)17(15-10)8-12-13-9-14-16(12)6-3/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole?
5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole has a molecular weight of 233.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole is sourced from PubChem (CID 82699222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).