2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine

C6H10BrN5 — CID 107042685

IUPAC2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1nnn(C)n1
InChIInChI=1S/C6H10BrN5/c1-5(7)3-8-4-6-9-11-12(2)10-6/h8H,1,3-4H2,2H3
InChIKeyWXOHCSLQQIGGBI-UHFFFAOYSA-N
MW232.08 g/mol
LogP0.21
Rot. Bonds4

About 2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine

2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine (PubChem CID 107042685) has the molecular formula C6H10BrN5 and a molecular weight of 232.08 g/mol. Its IUPAC name is 2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine
PubChem CID107042685
Molecular FormulaC6H10BrN5
Molecular Weight232.08 g/mol
Exact Mass231.01
IUPAC Name2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1nnn(C)n1
InChIInChI=1S/C6H10BrN5/c1-5(7)3-8-4-6-9-11-12(2)10-6/h8H,1,3-4H2,2H3
InChIKeyWXOHCSLQQIGGBI-UHFFFAOYSA-N
XLogP0.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine
CID 107166974
ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate
CID 107042177
2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042740
N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042317
1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107042475
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638
N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide
CID 107042158
N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine
CID 107042293
N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide
CID 130618771
2-[4-[(2-bromoprop-2-enylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol;hydrochloride
CID 115614732
2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107043216
N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 107042671

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine (CID 107042685) is 2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine is C=C(Br)CNCc1nnn(C)n1.
What is the InChIKey of 2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine?
The InChIKey is WXOHCSLQQIGGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN5/c1-5(7)3-8-4-6-9-11-12(2)10-6/h8H,1,3-4H2,2H3.
What are the key properties of 2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine?
2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine has a molecular weight of 232.08 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 107042685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).