2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine

C9H11BrN6S — CID 113454341

IUPAC2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1SCc1ccc(Br)cn1
InChIInChI=1S/C9H11BrN6S/c10-7-1-2-8(12-5-7)6-17-9-13-14-15-16(9)4-3-11/h1-2,5H,3-4,6,11H2
InChIKeySEQWRBNXPDKTDI-UHFFFAOYSA-N
MW315.20 g/mol
LogP1.08
Rot. Bonds5

About 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine

2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine (PubChem CID 113454341) has the molecular formula C9H11BrN6S and a molecular weight of 315.20 g/mol. Its IUPAC name is 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine
PubChem CID113454341
Molecular FormulaC9H11BrN6S
Molecular Weight315.20 g/mol
Exact Mass313.99
IUPAC Name2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1SCc1ccc(Br)cn1
InChIInChI=1S/C9H11BrN6S/c10-7-1-2-8(12-5-7)6-17-9-13-14-15-16(9)4-3-11/h1-2,5H,3-4,6,11H2
InChIKeySEQWRBNXPDKTDI-UHFFFAOYSA-N
XLogP1.08
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 104811481
methyl 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]acetate
CID 113454057
5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 115622292
4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 115622324
5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine
CID 115622303
2-[5-[(4-chloro-3-fluorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 114012355
2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 107306669
5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine
CID 115622309
3-[(5-bromo-2-pyridinyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 115622316
3-[(5-bromo-2-pyridinyl)methylsulfanyl]aniline
CID 104798026
5-chloro-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 75498623
4-[5-[(4-bromophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387271

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine (CID 113454341) is 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine is NCCn1nnnc1SCc1ccc(Br)cn1.
What is the InChIKey of 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine?
The InChIKey is SEQWRBNXPDKTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN6S/c10-7-1-2-8(12-5-7)6-17-9-13-14-15-16(9)4-3-11/h1-2,5H,3-4,6,11H2.
What are the key properties of 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine?
2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine has a molecular weight of 315.20 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine is sourced from PubChem (CID 113454341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).