3-cyclopropyl-1,5-diethyl-1,2,4-triazole

C9H15N3 — CID 134468971

IUPAC3-cyclopropyl-1,5-diethyl-1,2,4-triazole
SMILESCCc1nc(C2CC2)nn1CC
InChIInChI=1S/C9H15N3/c1-3-8-10-9(7-5-6-7)11-12(8)4-2/h7H,3-6H2,1-2H3
InChIKeyVZXPWFOFCVAEOF-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.74
Rot. Bonds3

About 3-cyclopropyl-1,5-diethyl-1,2,4-triazole

3-cyclopropyl-1,5-diethyl-1,2,4-triazole (PubChem CID 134468971) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-cyclopropyl-1,5-diethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-1,5-diethyl-1,2,4-triazole
PubChem CID134468971
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-cyclopropyl-1,5-diethyl-1,2,4-triazole
SMILESCCc1nc(C2CC2)nn1CC
InChIInChI=1S/C9H15N3/c1-3-8-10-9(7-5-6-7)11-12(8)4-2/h7H,3-6H2,1-2H3
InChIKeyVZXPWFOFCVAEOF-UHFFFAOYSA-N
XLogP1.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,5-diethyl-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-1,5-diethyl-1,2,4-triazole (CID 134468971) is 3-cyclopropyl-1,5-diethyl-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-1,5-diethyl-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-1,5-diethyl-1,2,4-triazole is CCc1nc(C2CC2)nn1CC.
What is the InChIKey of 3-cyclopropyl-1,5-diethyl-1,2,4-triazole?
The InChIKey is VZXPWFOFCVAEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-8-10-9(7-5-6-7)11-12(8)4-2/h7H,3-6H2,1-2H3.
What are the key properties of 3-cyclopropyl-1,5-diethyl-1,2,4-triazole?
3-cyclopropyl-1,5-diethyl-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,5-diethyl-1,2,4-triazole is sourced from PubChem (CID 134468971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).