3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole

C13H15N5O — CID 103123714

IUPAC3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole
SMILESCOCCn1cnnc1-c1nn(C)c2ccccc12
InChIInChI=1S/C13H15N5O/c1-17-11-6-4-3-5-10(11)12(16-17)13-15-14-9-18(13)7-8-19-2/h3-6,9H,7-8H2,1-2H3
InChIKeyJUJXNGCKVSDTOY-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.48
Rot. Bonds4

About 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole

3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole (PubChem CID 103123714) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole
PubChem CID103123714
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole
SMILESCOCCn1cnnc1-c1nn(C)c2ccccc12
InChIInChI=1S/C13H15N5O/c1-17-11-6-4-3-5-10(11)12(16-17)13-15-14-9-18(13)7-8-19-2/h3-6,9H,7-8H2,1-2H3
InChIKeyJUJXNGCKVSDTOY-UHFFFAOYSA-N
XLogP1.48
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline
CID 55108013
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
CID 103123713
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine
CID 62709711
4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
CID 113300999
4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole
CID 115393515
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one
CID 136812983
3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393517
1,4-dimethyl-3-(1-methylindazol-3-yl)pyrazol-5-amine
CID 103118715
4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole
CID 103512409
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4,6-dimethylaniline
CID 63112611
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-nitroaniline
CID 55107302

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole?
The IUPAC name of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole (CID 103123714) is 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole.
What is the SMILES notation for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole?
The canonical SMILES for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole is COCCn1cnnc1-c1nn(C)c2ccccc12.
What is the InChIKey of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole?
The InChIKey is JUJXNGCKVSDTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-17-11-6-4-3-5-10(11)12(16-17)13-15-14-9-18(13)7-8-19-2/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole?
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole has a molecular weight of 257.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole is sourced from PubChem (CID 103123714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).