2-methyl-5-(propan-2-yloxymethyl)tetrazole

C6H12N4O — CID 155023159

IUPAC2-methyl-5-(propan-2-yloxymethyl)tetrazole
SMILESCC(C)OCc1nnn(C)n1
InChIInChI=1S/C6H12N4O/c1-5(2)11-4-6-7-9-10(3)8-6/h5H,4H2,1-3H3
InChIKeyNBMITELQDYTVDJ-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.14
Rot. Bonds3

About 2-methyl-5-(propan-2-yloxymethyl)tetrazole

2-methyl-5-(propan-2-yloxymethyl)tetrazole (PubChem CID 155023159) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-methyl-5-(propan-2-yloxymethyl)tetrazole.

Molecular Properties

Compound Name2-methyl-5-(propan-2-yloxymethyl)tetrazole
PubChem CID155023159
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-methyl-5-(propan-2-yloxymethyl)tetrazole
SMILESCC(C)OCc1nnn(C)n1
InChIInChI=1S/C6H12N4O/c1-5(2)11-4-6-7-9-10(3)8-6/h5H,4H2,1-3H3
InChIKeyNBMITELQDYTVDJ-UHFFFAOYSA-N
XLogP0.14
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(propan-2-yloxymethyl)tetrazole?
The IUPAC name of 2-methyl-5-(propan-2-yloxymethyl)tetrazole (CID 155023159) is 2-methyl-5-(propan-2-yloxymethyl)tetrazole.
What is the SMILES notation for 2-methyl-5-(propan-2-yloxymethyl)tetrazole?
The canonical SMILES for 2-methyl-5-(propan-2-yloxymethyl)tetrazole is CC(C)OCc1nnn(C)n1.
What is the InChIKey of 2-methyl-5-(propan-2-yloxymethyl)tetrazole?
The InChIKey is NBMITELQDYTVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-5(2)11-4-6-7-9-10(3)8-6/h5H,4H2,1-3H3.
What are the key properties of 2-methyl-5-(propan-2-yloxymethyl)tetrazole?
2-methyl-5-(propan-2-yloxymethyl)tetrazole has a molecular weight of 156.19 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(propan-2-yloxymethyl)tetrazole is sourced from PubChem (CID 155023159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).