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

C10H19N3O — CID 115393656

IUPAC4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole
SMILESCCCC(C)c1nncn1CCOC
InChIInChI=1S/C10H19N3O/c1-4-5-9(2)10-12-11-8-13(10)6-7-14-3/h8-9H,4-7H2,1-3H3
InChIKeyJQLTYFBLVLDZHS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.83
Rot. Bonds6

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

4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole (PubChem CID 115393656) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole
PubChem CID115393656
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole
SMILESCCCC(C)c1nncn1CCOC
InChIInChI=1S/C10H19N3O/c1-4-5-9(2)10-12-11-8-13(10)6-7-14-3/h8-9H,4-7H2,1-3H3
InChIKeyJQLTYFBLVLDZHS-UHFFFAOYSA-N
XLogP1.83
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-3-pentan-2-yl-1,2,4-triazole
CID 115394788
3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 116684388
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol
CID 104905990
3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
CID 125177563
3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393679
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
CID 131939242
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97118047
1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
CID 47000737
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 131922421

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole (CID 115393656) is 4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole is CCCC(C)c1nncn1CCOC.
What is the InChIKey of 4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole?
The InChIKey is JQLTYFBLVLDZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-5-9(2)10-12-11-8-13(10)6-7-14-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole?
4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole has a molecular weight of 197.28 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole is sourced from PubChem (CID 115393656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).