(3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine

C13H11BrN4O — CID 105150494

IUPAC(3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine
SMILESNC(c1cnn(-c2ccccc2)n1)c1occc1Br
InChIInChI=1S/C13H11BrN4O/c14-10-6-7-19-13(10)12(15)11-8-16-18(17-11)9-4-2-1-3-5-9/h1-8,12H,15H2
InChIKeyWVVATFKPZQJXNN-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.67
Rot. Bonds3

About (3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine

(3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine (PubChem CID 105150494) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine
PubChem CID105150494
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name(3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine
SMILESNC(c1cnn(-c2ccccc2)n1)c1occc1Br
InChIInChI=1S/C13H11BrN4O/c14-10-6-7-19-13(10)12(15)11-8-16-18(17-11)9-4-2-1-3-5-9/h1-8,12H,15H2
InChIKeyWVVATFKPZQJXNN-UHFFFAOYSA-N
XLogP2.67
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)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

(2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine
CID 105099586
(3-bromofuran-2-yl)-quinolin-2-ylmethanamine
CID 63941679
[cyclopentyl-(2-phenyltriazol-4-yl)methyl]hydrazine
CID 105282381
(3-bromofuran-2-yl)-pyridin-4-ylmethanamine
CID 63942832
(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105150606
N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine
CID 105146680
(1R,2S,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol
CID 98149039
(1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol
CID 25323176
[(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 105292082
(3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine
CID 79523074
1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine
CID 63944229
4-pentan-2-yl-2-phenyltriazole
CID 163429787

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine?
The IUPAC name of (3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine (CID 105150494) is (3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine is NC(c1cnn(-c2ccccc2)n1)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine?
The InChIKey is WVVATFKPZQJXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c14-10-6-7-19-13(10)12(15)11-8-16-18(17-11)9-4-2-1-3-5-9/h1-8,12H,15H2.
What are the key properties of (3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine?
(3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine has a molecular weight of 319.16 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 105150494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).