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

C10H15N5 — CID 115394639

IUPAC4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole
SMILESCCn1cnnc1-c1cc(C)nn1CC
InChIInChI=1S/C10H15N5/c1-4-14-7-11-12-10(14)9-6-8(3)13-15(9)5-2/h6-7H,4-5H2,1-3H3
InChIKeyKERJBTPUXFXLCJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.49
Rot. Bonds3

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

4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole (PubChem CID 115394639) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole
PubChem CID115394639
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole
SMILESCCn1cnnc1-c1cc(C)nn1CC
InChIInChI=1S/C10H15N5/c1-4-14-7-11-12-10(14)9-6-8(3)13-15(9)5-2/h6-7H,4-5H2,1-3H3
InChIKeyKERJBTPUXFXLCJ-UHFFFAOYSA-N
XLogP1.49
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole
CID 115394935
3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole
CID 115395097
3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole
CID 115394797
1-ethyl-3,5-dimethylpyrazole
CID 565993
3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395609
3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole
CID 82819204
3-(4-ethyl-1,2,4-triazol-3-yl)-5-methylpyridine
CID 115394647
3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole
CID 115394910
4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole
CID 113301146
1-ethyl-5-fluoro-3-methylpyrazole
CID 119056206
[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methanamine
CID 79139245
5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine
CID 165470287

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole (CID 115394639) is 4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole is CCn1cnnc1-c1cc(C)nn1CC.
What is the InChIKey of 4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole?
The InChIKey is KERJBTPUXFXLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-4-14-7-11-12-10(14)9-6-8(3)13-15(9)5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole?
4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole has a molecular weight of 205.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole is sourced from PubChem (CID 115394639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).