N-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine

C7H7BrN6 — CID 141319494

IUPACN-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine
SMILESBrCn1nnnc1Nc1ccccn1
InChIInChI=1S/C7H7BrN6/c8-5-14-7(11-12-13-14)10-6-3-1-2-4-9-6/h1-4H,5H2,(H,9,10,11,13)
InChIKeyHSYOUCPKZLEIJX-UHFFFAOYSA-N
MW255.08 g/mol
LogP1.16
Rot. Bonds3

About N-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine

N-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine (PubChem CID 141319494) has the molecular formula C7H7BrN6 and a molecular weight of 255.08 g/mol. Its IUPAC name is N-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine
PubChem CID141319494
Molecular FormulaC7H7BrN6
Molecular Weight255.08 g/mol
Exact Mass253.99
IUPAC NameN-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine
SMILESBrCn1nnnc1Nc1ccccn1
InChIInChI=1S/C7H7BrN6/c8-5-14-7(11-12-13-14)10-6-3-1-2-4-9-6/h1-4H,5H2,(H,9,10,11,13)
InChIKeyHSYOUCPKZLEIJX-UHFFFAOYSA-N
XLogP1.16
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine?
The IUPAC name of N-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine (CID 141319494) is N-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine is BrCn1nnnc1Nc1ccccn1.
What is the InChIKey of N-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine?
The InChIKey is HSYOUCPKZLEIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN6/c8-5-14-7(11-12-13-14)10-6-3-1-2-4-9-6/h1-4H,5H2,(H,9,10,11,13).
What are the key properties of N-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine?
N-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine has a molecular weight of 255.08 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 141319494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).