3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole

C13H19N5O — CID 56900240

IUPAC3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1C(C)n1ccnc1C1CC1
InChIInChI=1S/C13H19N5O/c1-10(12-16-15-9-17(12)7-8-19-2)18-6-5-14-13(18)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyIHSCREFEFDZTFB-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.61
Rot. Bonds6

About 3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole

3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 56900240) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID56900240
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1C(C)n1ccnc1C1CC1
InChIInChI=1S/C13H19N5O/c1-10(12-16-15-9-17(12)7-8-19-2)18-6-5-14-13(18)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyIHSCREFEFDZTFB-UHFFFAOYSA-N
XLogP1.61
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole (CID 56900240) is 3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole is COCCn1cnnc1C(C)n1ccnc1C1CC1.
What is the InChIKey of 3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is IHSCREFEFDZTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(12-16-15-9-17(12)7-8-19-2)18-6-5-14-13(18)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole?
3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 261.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyclopropylimidazol-1-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 56900240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).