4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole

C9H13N5O — CID 103512409

IUPAC4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1cncn1C
InChIInChI=1S/C9H13N5O/c1-13-6-10-5-8(13)9-12-11-7-14(9)3-4-15-2/h5-7H,3-4H2,1-2H3
InChIKeyDEFRFEQHVOFAKO-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.32
Rot. Bonds4

About 4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole

4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole (PubChem CID 103512409) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole
PubChem CID103512409
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1cncn1C
InChIInChI=1S/C9H13N5O/c1-13-6-10-5-8(13)9-12-11-7-14(9)3-4-15-2/h5-7H,3-4H2,1-2H3
InChIKeyDEFRFEQHVOFAKO-UHFFFAOYSA-N
XLogP0.32
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
5-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 104643364
4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
CID 113300999
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
CID 115393609
3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393679
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
CID 103123713
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole
CID 115393515
3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393550
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4,6-dimethylaniline
CID 63112611
3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301014
3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393561

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole (CID 103512409) is 4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole is COCCn1cnnc1-c1cncn1C.
What is the InChIKey of 4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole?
The InChIKey is DEFRFEQHVOFAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-13-6-10-5-8(13)9-12-11-7-14(9)3-4-15-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole?
4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole has a molecular weight of 207.24 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 103512409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).