5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole

C21H23N7O — CID 14987346

IUPAC5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole
SMILESCCCc1nnc(COC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C21H23N7O/c1-3-6-19-22-23-20(14-29-2)28(19)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)21-24-26-27-25-21/h4-5,7-12H,3,6,13-14H2,1-2H3,(H,24,25,26,27)
InChIKeyQAUSPAYUEOLOKH-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.27
Rot. Bonds8

About 5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole

5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole (PubChem CID 14987346) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole
PubChem CID14987346
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole
SMILESCCCc1nnc(COC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C21H23N7O/c1-3-6-19-22-23-20(14-29-2)28(19)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)21-24-26-27-25-21/h4-5,7-12H,3,6,13-14H2,1-2H3,(H,24,25,26,27)
InChIKeyQAUSPAYUEOLOKH-UHFFFAOYSA-N
XLogP3.27
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole (CID 14987346) is 5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole is CCCc1nnc(COC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole?
The InChIKey is QAUSPAYUEOLOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-3-6-19-22-23-20(14-29-2)28(19)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)21-24-26-27-25-21/h4-5,7-12H,3,6,13-14H2,1-2H3,(H,24,25,26,27).
What are the key properties of 5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole?
5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole has a molecular weight of 389.46 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 14987346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).