1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine

C19H19BrN4 — CID 166180999

IUPAC1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine
SMILESBrc1ccccc1-c1ccc(CNCc2nnc3n2CCC3)cc1
InChIInChI=1S/C19H19BrN4/c20-17-5-2-1-4-16(17)15-9-7-14(8-10-15)12-21-13-19-23-22-18-6-3-11-24(18)19/h1-2,4-5,7-10,21H,3,6,11-13H2
InChIKeyRYXBPJLYVLECLZ-UHFFFAOYSA-N
MW383.29 g/mol
LogP3.94
Rot. Bonds5

About 1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine

1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine (PubChem CID 166180999) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine
PubChem CID166180999
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine
SMILESBrc1ccccc1-c1ccc(CNCc2nnc3n2CCC3)cc1
InChIInChI=1S/C19H19BrN4/c20-17-5-2-1-4-16(17)15-9-7-14(8-10-15)12-21-13-19-23-22-18-6-3-11-24(18)19/h1-2,4-5,7-10,21H,3,6,11-13H2
InChIKeyRYXBPJLYVLECLZ-UHFFFAOYSA-N
XLogP3.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine 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

1-[4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 97196735
1-(5-bromothiophen-2-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine;hydrochloride
CID 71896268
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)aniline
CID 60722553
1-(4,5-dimethoxy-2-phenylphenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine
CID 119110935
1-phenyl-N-(5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepin-3-ylmethyl)methanamine;hydrochloride
CID 154919057
2-phenoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077354
2-bromo-5-chloro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
CID 107077673
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111020511
1-(5-chlorothiophen-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 113226497
3-benzyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 657668
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methylaniline
CID 54920883
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,3-thiazol-5-yl)methanamine
CID 103792668

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine?
The IUPAC name of 1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine (CID 166180999) is 1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine is Brc1ccccc1-c1ccc(CNCc2nnc3n2CCC3)cc1.
What is the InChIKey of 1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine?
The InChIKey is RYXBPJLYVLECLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c20-17-5-2-1-4-16(17)15-9-7-14(8-10-15)12-21-13-19-23-22-18-6-3-11-24(18)19/h1-2,4-5,7-10,21H,3,6,11-13H2.
What are the key properties of 1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine?
1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine has a molecular weight of 383.29 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenyl)phenyl]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)methanamine is sourced from PubChem (CID 166180999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).