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

C11H17N5 — CID 115394957

IUPAC3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1cc(CC)nn1C
InChIInChI=1S/C11H17N5/c1-4-6-16-8-12-13-11(16)10-7-9(5-2)14-15(10)3/h7-8H,4-6H2,1-3H3
InChIKeyBBYPOLSLTWVLGF-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.65
Rot. Bonds4

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

3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole (PubChem CID 115394957) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole
PubChem CID115394957
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1cc(CC)nn1C
InChIInChI=1S/C11H17N5/c1-4-6-16-8-12-13-11(16)10-7-9(5-2)14-15(10)3/h7-8H,4-6H2,1-3H3
InChIKeyBBYPOLSLTWVLGF-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole
CID 115395097
3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole
CID 115394935
N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine
CID 112596806
2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid
CID 66120183
3-(2,3,4,5,6-pentafluorophenyl)-4-propyl-1,2,4-triazole
CID 115395009
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
2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole
CID 10610834
7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 66120938
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole (CID 115394957) is 3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole is CCCn1cnnc1-c1cc(CC)nn1C.
What is the InChIKey of 3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole?
The InChIKey is BBYPOLSLTWVLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-6-16-8-12-13-11(16)10-7-9(5-2)14-15(10)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole?
3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole has a molecular weight of 219.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 115394957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).