N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine

C15H19BrN4 — CID 79443583

IUPACN-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
SMILESCn1ncnc1CC(CNC1CC1)c1cccc(Br)c1
InChIInChI=1S/C15H19BrN4/c1-20-15(18-10-19-20)8-12(9-17-14-5-6-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,14,17H,5-6,8-9H2,1H3
InChIKeyHIIYMPCJPSWGDN-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine

N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine (PubChem CID 79443583) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
PubChem CID79443583
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC NameN-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
SMILESCn1ncnc1CC(CNC1CC1)c1cccc(Br)c1
InChIInChI=1S/C15H19BrN4/c1-20-15(18-10-19-20)8-12(9-17-14-5-6-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,14,17H,5-6,8-9H2,1H3
InChIKeyHIIYMPCJPSWGDN-UHFFFAOYSA-N
XLogP2.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79440449
2-(3-bromophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79442684
N-[2-(2-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79448761
2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
CID 117242819
N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine
CID 83182710
N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
CID 79443132
N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79430577
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495
N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine
CID 79442605
N-[2-(4-chlorophenyl)-3-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79431064
N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183703
N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79422698

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine (CID 79443583) is N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine is Cn1ncnc1CC(CNC1CC1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine?
The InChIKey is HIIYMPCJPSWGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-20-15(18-10-19-20)8-12(9-17-14-5-6-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,14,17H,5-6,8-9H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine?
N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine has a molecular weight of 335.25 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine is sourced from PubChem (CID 79443583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).