N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine

C13H15BrN4 — CID 106463295

IUPACN-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine
SMILESCn1nnc(Br)c1-c1ccc(CNC2CC2)cc1
InChIInChI=1S/C13H15BrN4/c1-18-12(13(14)16-17-18)10-4-2-9(3-5-10)8-15-11-6-7-11/h2-5,11,15H,6-8H2,1H3
InChIKeyMHYMFCOASFWGAM-UHFFFAOYSA-N
MW307.20 g/mol
LogP2.50
Rot. Bonds4

About N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine

N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine (PubChem CID 106463295) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine
PubChem CID106463295
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC NameN-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine
SMILESCn1nnc(Br)c1-c1ccc(CNC2CC2)cc1
InChIInChI=1S/C13H15BrN4/c1-18-12(13(14)16-17-18)10-4-2-9(3-5-10)8-15-11-6-7-11/h2-5,11,15H,6-8H2,1H3
InChIKeyMHYMFCOASFWGAM-UHFFFAOYSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine 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

N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 54980066
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 66023284
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 55109524
N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63974152
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122665
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine
CID 171934626

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine (CID 106463295) is N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine is Cn1nnc(Br)c1-c1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is MHYMFCOASFWGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-18-12(13(14)16-17-18)10-4-2-9(3-5-10)8-15-11-6-7-11/h2-5,11,15H,6-8H2,1H3.
What are the key properties of N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 307.20 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106463295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).