1-(2-bromoprop-2-enyl)-5-methyltetrazole

C5H7BrN4 — CID 130619232

IUPAC1-(2-bromoprop-2-enyl)-5-methyltetrazole
SMILESC=C(Br)Cn1nnnc1C
InChIInChI=1S/C5H7BrN4/c1-4(6)3-10-5(2)7-8-9-10/h1,3H2,2H3
InChIKeyMJQGJVNKAXILHV-UHFFFAOYSA-N
MW203.04 g/mol
LogP0.89
Rot. Bonds2

About 1-(2-bromoprop-2-enyl)-5-methyltetrazole

1-(2-bromoprop-2-enyl)-5-methyltetrazole (PubChem CID 130619232) has the molecular formula C5H7BrN4 and a molecular weight of 203.04 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-5-methyltetrazole.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-5-methyltetrazole
PubChem CID130619232
Molecular FormulaC5H7BrN4
Molecular Weight203.04 g/mol
Exact Mass201.99
IUPAC Name1-(2-bromoprop-2-enyl)-5-methyltetrazole
SMILESC=C(Br)Cn1nnnc1C
InChIInChI=1S/C5H7BrN4/c1-4(6)3-10-5(2)7-8-9-10/h1,3H2,2H3
InChIKeyMJQGJVNKAXILHV-UHFFFAOYSA-N
XLogP0.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyltetrazol-1-yl)acetyl chloride
CID 165357102
2-(5-methyltetrazol-1-yl)acetamide
CID 71946280
N-methoxy-2-(5-methyltetrazol-1-yl)acetamide
CID 127012088
5-methyl-1-(3-methylbut-2-enyl)tetrazole
CID 130645043
2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 131203447
2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride
CID 103098263
3-(5-methyltetrazol-1-yl)propanoate
CID 7219833
2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid
CID 21482131
5-methyl-1-pentyltetrazole
CID 67274114
1-hydroxy-5-methyltetrazole
CID 13223279
5-methyl-1-octyltetrazole
CID 20685309
methyl 3-(5-methyltetrazol-1-yl)propanoate
CID 59922425

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-5-methyltetrazole?
The IUPAC name of 1-(2-bromoprop-2-enyl)-5-methyltetrazole (CID 130619232) is 1-(2-bromoprop-2-enyl)-5-methyltetrazole.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-5-methyltetrazole?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-5-methyltetrazole is C=C(Br)Cn1nnnc1C.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-5-methyltetrazole?
The InChIKey is MJQGJVNKAXILHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4/c1-4(6)3-10-5(2)7-8-9-10/h1,3H2,2H3.
What are the key properties of 1-(2-bromoprop-2-enyl)-5-methyltetrazole?
1-(2-bromoprop-2-enyl)-5-methyltetrazole has a molecular weight of 203.04 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-5-methyltetrazole is sourced from PubChem (CID 130619232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).