(4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide

C8H7BrN5- — CID 135591544

IUPAC(4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide
SMILESBrc1ccc(C[N-]c2nn[nH]n2)cc1
InChIInChI=1S/C8H7BrN5/c9-7-3-1-6(2-4-7)5-10-8-11-13-14-12-8/h1-4H,5H2,(H-,10,11,12,13,14)/q-1
InChIKeyTXDKZMSXMUHARI-UHFFFAOYSA-N
MW253.08 g/mol
LogP2.17
Rot. Bonds3

About (4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide

(4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide (PubChem CID 135591544) has the molecular formula C8H7BrN5- and a molecular weight of 253.08 g/mol. Its IUPAC name is (4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide.

Molecular Properties

Compound Name(4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide
PubChem CID135591544
Molecular FormulaC8H7BrN5-
Molecular Weight253.08 g/mol
Exact Mass251.99
IUPAC Name(4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide
SMILESBrc1ccc(C[N-]c2nn[nH]n2)cc1
InChIInChI=1S/C8H7BrN5/c9-7-3-1-6(2-4-7)5-10-8-11-13-14-12-8/h1-4H,5H2,(H-,10,11,12,13,14)/q-1
InChIKeyTXDKZMSXMUHARI-UHFFFAOYSA-N
XLogP2.17
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide?
The IUPAC name of (4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide (CID 135591544) is (4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide.
What is the SMILES notation for (4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide?
The canonical SMILES for (4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide is Brc1ccc(C[N-]c2nn[nH]n2)cc1.
What is the InChIKey of (4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide?
The InChIKey is TXDKZMSXMUHARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN5/c9-7-3-1-6(2-4-7)5-10-8-11-13-14-12-8/h1-4H,5H2,(H-,10,11,12,13,14)/q-1.
What are the key properties of (4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide?
(4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide has a molecular weight of 253.08 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide is sourced from PubChem (CID 135591544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).