3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole

C12H19N5 — CID 115395097

IUPAC3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1cc(CC)nn1CC
InChIInChI=1S/C12H19N5/c1-4-7-16-9-13-14-12(16)11-8-10(5-2)15-17(11)6-3/h8-9H,4-7H2,1-3H3
InChIKeyZCTQYUXNOVNLGF-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.13
Rot. Bonds5

About 3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole

3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole (PubChem CID 115395097) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole
PubChem CID115395097
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1cc(CC)nn1CC
InChIInChI=1S/C12H19N5/c1-4-7-16-9-13-14-12(16)11-8-10(5-2)15-17(11)6-3/h8-9H,4-7H2,1-3H3
InChIKeyZCTQYUXNOVNLGF-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole
CID 115394957
3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole
CID 115394935
4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole
CID 113301146
4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole
CID 115394639
3-(2,3,4,5,6-pentafluorophenyl)-4-propyl-1,2,4-triazole
CID 115395009
4-methyl-2-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 62694681
4-propyl-3-(3,4,5-trifluorophenyl)-1,2,4-triazole
CID 113301320
3-(3-chloro-5-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395140
3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006566
5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine
CID 63619258
3-(3-chloro-4-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395050
3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole
CID 115395120

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole (CID 115395097) is 3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole is CCCn1cnnc1-c1cc(CC)nn1CC.
What is the InChIKey of 3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole?
The InChIKey is ZCTQYUXNOVNLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-7-16-9-13-14-12(16)11-8-10(5-2)15-17(11)6-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole?
3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole has a molecular weight of 233.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 115395097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).