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

C12H13BrN4 — CID 107447528

IUPACN-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
SMILESBrc1ccccc1-n1ncnc1CNC1CC1
InChIInChI=1S/C12H13BrN4/c13-10-3-1-2-4-11(10)17-12(15-8-16-17)7-14-9-5-6-9/h1-4,8-9,14H,5-7H2
InChIKeyGWQNUJSEXGKVCO-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.28
Rot. Bonds4

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

N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine (PubChem CID 107447528) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
PubChem CID107447528
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC NameN-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
SMILESBrc1ccccc1-n1ncnc1CNC1CC1
InChIInChI=1S/C12H13BrN4/c13-10-3-1-2-4-11(10)17-12(15-8-16-17)7-14-9-5-6-9/h1-4,8-9,14H,5-7H2
InChIKeyGWQNUJSEXGKVCO-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 107447494
N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66440309
N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 107447429
N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 107447601
1-[2-(3-bromo-2-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 164902887
N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine
CID 79224432
1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine
CID 119160309
1-(2-bromophenyl)-N-ethylpiperidin-4-amine
CID 60862139
N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82831997
N-(imidazo[1,5-a]pyridin-3-ylmethyl)cyclopropanamine
CID 116993073
N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402782
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114123294

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine (CID 107447528) is N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine is Brc1ccccc1-n1ncnc1CNC1CC1.
What is the InChIKey of N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The InChIKey is GWQNUJSEXGKVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c13-10-3-1-2-4-11(10)17-12(15-8-16-17)7-14-9-5-6-9/h1-4,8-9,14H,5-7H2.
What are the key properties of N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine has a molecular weight of 293.17 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107447528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).