4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole

C10H17N3O — CID 115394287

IUPAC4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole
SMILESCCCOCCc1nncn1C1CC1
InChIInChI=1S/C10H17N3O/c1-2-6-14-7-5-10-12-11-8-13(10)9-3-4-9/h8-9H,2-7H2,1H3
InChIKeyNOOSGYPIVLLMKA-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.58
Rot. Bonds6

About 4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole

4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole (PubChem CID 115394287) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole
PubChem CID115394287
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole
SMILESCCCOCCc1nncn1C1CC1
InChIInChI=1S/C10H17N3O/c1-2-6-14-7-5-10-12-11-8-13(10)9-3-4-9/h8-9H,2-7H2,1H3
InChIKeyNOOSGYPIVLLMKA-UHFFFAOYSA-N
XLogP1.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole (CID 115394287) is 4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole is CCCOCCc1nncn1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole?
The InChIKey is NOOSGYPIVLLMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-6-14-7-5-10-12-11-8-13(10)9-3-4-9/h8-9H,2-7H2,1H3.
What are the key properties of 4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole?
4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole has a molecular weight of 195.27 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 115394287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).