1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol

C17H23N7O2 — CID 72894781

IUPAC1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1nc(CCOC)nc1-c1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C17H23N7O2/c1-4-14(25)11-24-17(18-15(20-24)9-10-26-3)13-7-5-12(6-8-13)16-19-22-23(2)21-16/h5-8,14,25H,4,9-11H2,1-3H3
InChIKeyIJMXIJNOBPEURD-UHFFFAOYSA-N
MW357.42 g/mol
LogP1.10
Rot. Bonds8

About 1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol

1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol (PubChem CID 72894781) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol
PubChem CID72894781
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1nc(CCOC)nc1-c1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C17H23N7O2/c1-4-14(25)11-24-17(18-15(20-24)9-10-26-3)13-7-5-12(6-8-13)16-19-22-23(2)21-16/h5-8,14,25H,4,9-11H2,1-3H3
InChIKeyIJMXIJNOBPEURD-UHFFFAOYSA-N
XLogP1.10
TPSA103.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol?
The IUPAC name of 1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol (CID 72894781) is 1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol.
What is the SMILES notation for 1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol?
The canonical SMILES for 1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol is CCC(O)Cn1nc(CCOC)nc1-c1ccc(-c2nnn(C)n2)cc1.
What is the InChIKey of 1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol?
The InChIKey is IJMXIJNOBPEURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-4-14(25)11-24-17(18-15(20-24)9-10-26-3)13-7-5-12(6-8-13)16-19-22-23(2)21-16/h5-8,14,25H,4,9-11H2,1-3H3.
What are the key properties of 1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol?
1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol has a molecular weight of 357.42 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)-5-[4-(2-methyltetrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol is sourced from PubChem (CID 72894781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).