5-(2-methoxyethyl)-1H-1,2,4-triazole

C5H9N3O — CID 58490953

IUPAC5-(2-methoxyethyl)-1H-1,2,4-triazole
SMILESCOCCc1ncn[nH]1
InChIInChI=1S/C5H9N3O/c1-9-3-2-5-6-4-7-8-5/h4H,2-3H2,1H3,(H,6,7,8)
InChIKeyOESAQPAMTOQHEK-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.01
Rot. Bonds3

About 5-(2-methoxyethyl)-1H-1,2,4-triazole

5-(2-methoxyethyl)-1H-1,2,4-triazole (PubChem CID 58490953) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-methoxyethyl)-1H-1,2,4-triazole
PubChem CID58490953
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name5-(2-methoxyethyl)-1H-1,2,4-triazole
SMILESCOCCc1ncn[nH]1
InChIInChI=1S/C5H9N3O/c1-9-3-2-5-6-4-7-8-5/h4H,2-3H2,1H3,(H,6,7,8)
InChIKeyOESAQPAMTOQHEK-UHFFFAOYSA-N
XLogP-0.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 79001382
2-amino-3-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 81102196
5-heptadecyl-1H-1,2,4-triazole
CID 558137
methyl 2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]acetate
CID 112617333
3-[2-(1H-1,2,4-triazol-5-yl)ethoxy]aniline
CID 82469969
2-[2-methoxyethyl-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]amino]acetic acid
CID 79269696
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine;dihydrochloride
CID 154878724
4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
CID 115744819
3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol
CID 67831911
N-[(4-methoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64545961
2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725332

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2-methoxyethyl)-1H-1,2,4-triazole (CID 58490953) is 5-(2-methoxyethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-methoxyethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-methoxyethyl)-1H-1,2,4-triazole is COCCc1ncn[nH]1.
What is the InChIKey of 5-(2-methoxyethyl)-1H-1,2,4-triazole?
The InChIKey is OESAQPAMTOQHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-9-3-2-5-6-4-7-8-5/h4H,2-3H2,1H3,(H,6,7,8).
What are the key properties of 5-(2-methoxyethyl)-1H-1,2,4-triazole?
5-(2-methoxyethyl)-1H-1,2,4-triazole has a molecular weight of 127.15 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 58490953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).