5-bromo-1-methyltetrazole

C2H3BrN4 — CID 12797446

IUPAC5-bromo-1-methyltetrazole
SMILESCn1nnnc1Br
InChIInChI=1S/C2H3BrN4/c1-7-2(3)4-5-6-7/h1H3
InChIKeyMPEZKCXHVQSKLO-UHFFFAOYSA-N
MW162.98 g/mol
LogP-0.03
Rot. Bonds

About 5-bromo-1-methyltetrazole

5-bromo-1-methyltetrazole (PubChem CID 12797446) has the molecular formula C2H3BrN4 and a molecular weight of 162.98 g/mol. Its IUPAC name is 5-bromo-1-methyltetrazole.

Molecular Properties

Compound Name5-bromo-1-methyltetrazole
PubChem CID12797446
Molecular FormulaC2H3BrN4
Molecular Weight162.98 g/mol
Exact Mass161.95
IUPAC Name5-bromo-1-methyltetrazole
SMILESCn1nnnc1Br
InChIInChI=1S/C2H3BrN4/c1-7-2(3)4-5-6-7/h1H3
InChIKeyMPEZKCXHVQSKLO-UHFFFAOYSA-N
XLogP-0.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.98
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-methyl-1H-1,2,3,4-tetrazole
CID 20509830
5-iodo-1-methyl-1H-1,2,3,4-tetrazole
CID 14226291
5-Azido-methyltetrazole
CID 80583588
5-Azido-3-bromo-1-methyl-1h-1,2,4-triazole
CID 135393530
5-Fluoro-1-methyltetrazole
CID 69031674
CID 143345547
CID 143345547
1-Methyl-5-methylbromanuidyltetrazole
CID 144909293
1-Methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne
CID 152748914
5-isocyano-1-methyl-1H-1,2,3,4-tetrazole
CID 137942033

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyltetrazole?
The IUPAC name of 5-bromo-1-methyltetrazole (CID 12797446) is 5-bromo-1-methyltetrazole.
What is the SMILES notation for 5-bromo-1-methyltetrazole?
The canonical SMILES for 5-bromo-1-methyltetrazole is Cn1nnnc1Br.
What is the InChIKey of 5-bromo-1-methyltetrazole?
The InChIKey is MPEZKCXHVQSKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BrN4/c1-7-2(3)4-5-6-7/h1H3.
What are the key properties of 5-bromo-1-methyltetrazole?
5-bromo-1-methyltetrazole has a molecular weight of 162.98 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyltetrazole is sourced from PubChem (CID 12797446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).