2-bromo-5-(5-propyltetrazol-1-yl)aniline

C10H12BrN5 — CID 79768330

IUPAC2-bromo-5-(5-propyltetrazol-1-yl)aniline
SMILESCCCc1nnnn1-c1ccc(Br)c(N)c1
InChIInChI=1S/C10H12BrN5/c1-2-3-10-13-14-15-16(10)7-4-5-8(11)9(12)6-7/h4-6H,2-3,12H2,1H3
InChIKeyHRGJWMUJOMEWHF-UHFFFAOYSA-N
MW282.15 g/mol
LogP1.96
Rot. Bonds3

About 2-bromo-5-(5-propyltetrazol-1-yl)aniline

2-bromo-5-(5-propyltetrazol-1-yl)aniline (PubChem CID 79768330) has the molecular formula C10H12BrN5 and a molecular weight of 282.15 g/mol. Its IUPAC name is 2-bromo-5-(5-propyltetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-bromo-5-(5-propyltetrazol-1-yl)aniline
PubChem CID79768330
Molecular FormulaC10H12BrN5
Molecular Weight282.15 g/mol
Exact Mass281.03
IUPAC Name2-bromo-5-(5-propyltetrazol-1-yl)aniline
SMILESCCCc1nnnn1-c1ccc(Br)c(N)c1
InChIInChI=1S/C10H12BrN5/c1-2-3-10-13-14-15-16(10)7-4-5-8(11)9(12)6-7/h4-6H,2-3,12H2,1H3
InChIKeyHRGJWMUJOMEWHF-UHFFFAOYSA-N
XLogP1.96
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-propyltetrazol-1-yl)aniline?
The IUPAC name of 2-bromo-5-(5-propyltetrazol-1-yl)aniline (CID 79768330) is 2-bromo-5-(5-propyltetrazol-1-yl)aniline.
What is the SMILES notation for 2-bromo-5-(5-propyltetrazol-1-yl)aniline?
The canonical SMILES for 2-bromo-5-(5-propyltetrazol-1-yl)aniline is CCCc1nnnn1-c1ccc(Br)c(N)c1.
What is the InChIKey of 2-bromo-5-(5-propyltetrazol-1-yl)aniline?
The InChIKey is HRGJWMUJOMEWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-2-3-10-13-14-15-16(10)7-4-5-8(11)9(12)6-7/h4-6H,2-3,12H2,1H3.
What are the key properties of 2-bromo-5-(5-propyltetrazol-1-yl)aniline?
2-bromo-5-(5-propyltetrazol-1-yl)aniline has a molecular weight of 282.15 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-propyltetrazol-1-yl)aniline is sourced from PubChem (CID 79768330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).