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

C11H17N5 — CID 115394935

IUPAC3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1cc(C)nn1CC
InChIInChI=1S/C11H17N5/c1-4-6-15-8-12-13-11(15)10-7-9(3)14-16(10)5-2/h7-8H,4-6H2,1-3H3
InChIKeyPLTURDBEFMZBMO-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.88
Rot. Bonds4

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

3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole (PubChem CID 115394935) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole
PubChem CID115394935
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1cc(C)nn1CC
InChIInChI=1S/C11H17N5/c1-4-6-15-8-12-13-11(15)10-7-9(3)14-16(10)5-2/h7-8H,4-6H2,1-3H3
InChIKeyPLTURDBEFMZBMO-UHFFFAOYSA-N
XLogP1.88
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole
CID 115394639
3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole
CID 115395097
3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole
CID 115394957
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-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395609
3-(3-chloro-5-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395140
3-(3-chloro-4-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395050
5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine
CID 63619258
3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole
CID 115395120
3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395074

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole (CID 115394935) is 3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole is CCCn1cnnc1-c1cc(C)nn1CC.
What is the InChIKey of 3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole?
The InChIKey is PLTURDBEFMZBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-6-15-8-12-13-11(15)10-7-9(3)14-16(10)5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole?
3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole has a molecular weight of 219.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 115394935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).