5-methyl-1-(2-methylpropyl)tetrazole

C6H12N4 — CID 3021461

IUPAC5-methyl-1-(2-methylpropyl)tetrazole
SMILESCc1nnnn1CC(C)C
InChIInChI=1S/C6H12N4/c1-5(2)4-10-6(3)7-8-9-10/h5H,4H2,1-3H3
InChIKeyOUEULNVXHMKTKS-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.64
Rot. Bonds2

About 5-methyl-1-(2-methylpropyl)tetrazole

5-methyl-1-(2-methylpropyl)tetrazole (PubChem CID 3021461) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpropyl)tetrazole.

Molecular Properties

Compound Name5-methyl-1-(2-methylpropyl)tetrazole
PubChem CID3021461
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name5-methyl-1-(2-methylpropyl)tetrazole
SMILESCc1nnnn1CC(C)C
InChIInChI=1S/C6H12N4/c1-5(2)4-10-6(3)7-8-9-10/h5H,4H2,1-3H3
InChIKeyOUEULNVXHMKTKS-UHFFFAOYSA-N
XLogP0.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylpropyl)tetrazole?
The IUPAC name of 5-methyl-1-(2-methylpropyl)tetrazole (CID 3021461) is 5-methyl-1-(2-methylpropyl)tetrazole.
What is the SMILES notation for 5-methyl-1-(2-methylpropyl)tetrazole?
The canonical SMILES for 5-methyl-1-(2-methylpropyl)tetrazole is Cc1nnnn1CC(C)C.
What is the InChIKey of 5-methyl-1-(2-methylpropyl)tetrazole?
The InChIKey is OUEULNVXHMKTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5(2)4-10-6(3)7-8-9-10/h5H,4H2,1-3H3.
What are the key properties of 5-methyl-1-(2-methylpropyl)tetrazole?
5-methyl-1-(2-methylpropyl)tetrazole has a molecular weight of 140.19 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpropyl)tetrazole is sourced from PubChem (CID 3021461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).