N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline

C12H9Br2N5O — CID 62085552

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline
SMILESBrc1cc(CNc2ccccc2-n2cnnn2)oc1Br
InChIInChI=1S/C12H9Br2N5O/c13-9-5-8(20-12(9)14)6-15-10-3-1-2-4-11(10)19-7-16-17-18-19/h1-5,7,15H,6H2
InChIKeyZWANOFRQRWNKGE-UHFFFAOYSA-N
MW399.05 g/mol
LogP3.39
Rot. Bonds4

About N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline

N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline (PubChem CID 62085552) has the molecular formula C12H9Br2N5O and a molecular weight of 399.05 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline
PubChem CID62085552
Molecular FormulaC12H9Br2N5O
Molecular Weight399.05 g/mol
Exact Mass396.92
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline
SMILESBrc1cc(CNc2ccccc2-n2cnnn2)oc1Br
InChIInChI=1S/C12H9Br2N5O/c13-9-5-8(20-12(9)14)6-15-10-3-1-2-4-11(10)19-7-16-17-18-19/h1-5,7,15H,6H2
InChIKeyZWANOFRQRWNKGE-UHFFFAOYSA-N
XLogP3.39
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.05
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,5-dibromofuran-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62083593
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62085905
N-[(4,5-dibromofuran-2-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 62085376
2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759060
N-[(4,5-dibromofuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 63419478
N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline
CID 146144127
N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62755418
5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
CID 79611373
N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline
CID 62135429
3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile
CID 43702183
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 43702314

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline (CID 62085552) is N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline is Brc1cc(CNc2ccccc2-n2cnnn2)oc1Br.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline?
The InChIKey is ZWANOFRQRWNKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N5O/c13-9-5-8(20-12(9)14)6-15-10-3-1-2-4-11(10)19-7-16-17-18-19/h1-5,7,15H,6H2.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline?
N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline has a molecular weight of 399.05 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 62085552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).