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

C15H19N7O — CID 86817102

IUPAC2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole
SMILESCCCn1c(C)nnc1Cn1nnc(COc2ccccc2)n1
InChIInChI=1S/C15H19N7O/c1-3-9-21-12(2)16-18-15(21)10-22-19-14(17-20-22)11-23-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3
InChIKeyFQHZZDJQCLPJEE-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.61
Rot. Bonds7

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

2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole (PubChem CID 86817102) has the molecular formula C15H19N7O and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole.

Molecular Properties

Compound Name2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole
PubChem CID86817102
Molecular FormulaC15H19N7O
Molecular Weight313.36 g/mol
Exact Mass313.17
IUPAC Name2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole
SMILESCCCn1c(C)nnc1Cn1nnc(COc2ccccc2)n1
InChIInChI=1S/C15H19N7O/c1-3-9-21-12(2)16-18-15(21)10-22-19-14(17-20-22)11-23-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3
InChIKeyFQHZZDJQCLPJEE-UHFFFAOYSA-N
XLogP1.61
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)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 2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole?
The IUPAC name of 2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole (CID 86817102) is 2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole.
What is the SMILES notation for 2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole?
The canonical SMILES for 2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole is CCCn1c(C)nnc1Cn1nnc(COc2ccccc2)n1.
What is the InChIKey of 2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole?
The InChIKey is FQHZZDJQCLPJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-3-9-21-12(2)16-18-15(21)10-22-19-14(17-20-22)11-23-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3.
What are the key properties of 2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole?
2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole has a molecular weight of 313.36 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole is sourced from PubChem (CID 86817102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).