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

C12H17N5 — CID 113301146

IUPAC4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole
SMILESCCc1cc(-c2nncn2C2CC2)n(CC)n1
InChIInChI=1S/C12H17N5/c1-3-9-7-11(17(4-2)15-9)12-14-13-8-16(12)10-5-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyAZOBOMAYHXDUEV-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.06
Rot. Bonds4

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

4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole (PubChem CID 113301146) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole
PubChem CID113301146
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole
SMILESCCc1cc(-c2nncn2C2CC2)n(CC)n1
InChIInChI=1S/C12H17N5/c1-3-9-7-11(17(4-2)15-9)12-14-13-8-16(12)10-5-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyAZOBOMAYHXDUEV-UHFFFAOYSA-N
XLogP2.06
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole
CID 115395097
5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole
CID 115394316
4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole
CID 115394639
1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane
CID 176693094
4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole
CID 115394164
3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006566
3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 66121034
1-[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016860
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
5-(1,3-diethylpyrazol-5-yl)-1,3,4-oxadiazol-2-amine
CID 66121190
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine
CID 81018330

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole (CID 113301146) is 4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole is CCc1cc(-c2nncn2C2CC2)n(CC)n1.
What is the InChIKey of 4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole?
The InChIKey is AZOBOMAYHXDUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-9-7-11(17(4-2)15-9)12-14-13-8-16(12)10-5-6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole?
4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole has a molecular weight of 231.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole is sourced from PubChem (CID 113301146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).