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

C10H15N5O — CID 173073539

IUPAC3-ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole
SMILESCCc1ncn(-c2nccn2CCOC)n1
InChIInChI=1S/C10H15N5O/c1-3-9-12-8-15(13-9)10-11-4-5-14(10)6-7-16-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyVDLQHYZXQNHZGD-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.67
Rot. Bonds5

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

3-ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole (PubChem CID 173073539) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole
PubChem CID173073539
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole
SMILESCCc1ncn(-c2nccn2CCOC)n1
InChIInChI=1S/C10H15N5O/c1-3-9-12-8-15(13-9)10-11-4-5-14(10)6-7-16-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyVDLQHYZXQNHZGD-UHFFFAOYSA-N
XLogP0.67
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole?
The IUPAC name of 3-ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole (CID 173073539) is 3-ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole?
The canonical SMILES for 3-ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole is CCc1ncn(-c2nccn2CCOC)n1.
What is the InChIKey of 3-ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole?
The InChIKey is VDLQHYZXQNHZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-9-12-8-15(13-9)10-11-4-5-14(10)6-7-16-2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 3-ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole?
3-ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole has a molecular weight of 221.26 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole is sourced from PubChem (CID 173073539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).