3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole

C10H16ClN3O2 — CID 63385512

IUPAC3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole
SMILESCOCCOCCn1c(Cl)nnc1C1CC1
InChIInChI=1S/C10H16ClN3O2/c1-15-6-7-16-5-4-14-9(8-2-3-8)12-13-10(14)11/h8H,2-7H2,1H3
InChIKeyAIHFLXBNRBBPFZ-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.47
Rot. Bonds7

About 3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole

3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole (PubChem CID 63385512) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole
PubChem CID63385512
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole
SMILESCOCCOCCn1c(Cl)nnc1C1CC1
InChIInChI=1S/C10H16ClN3O2/c1-15-6-7-16-5-4-14-9(8-2-3-8)12-13-10(14)11/h8H,2-7H2,1H3
InChIKeyAIHFLXBNRBBPFZ-UHFFFAOYSA-N
XLogP1.47
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole (CID 63385512) is 3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole is COCCOCCn1c(Cl)nnc1C1CC1.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole?
The InChIKey is AIHFLXBNRBBPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-15-6-7-16-5-4-14-9(8-2-3-8)12-13-10(14)11/h8H,2-7H2,1H3.
What are the key properties of 3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole has a molecular weight of 245.71 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-4-[2-(2-methoxyethoxy)ethyl]-1,2,4-triazole is sourced from PubChem (CID 63385512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).