5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine

C11H13BrN6S — CID 103519137

IUPAC5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
SMILESNc1cncc(Br)c1Sc1nnnn1C1CCCC1
InChIInChI=1S/C11H13BrN6S/c12-8-5-14-6-9(13)10(8)19-11-15-16-17-18(11)7-3-1-2-4-7/h5-7H,1-4,13H2
InChIKeyGIDJQNUSKFLLDR-UHFFFAOYSA-N
MW341.24 g/mol
LogP2.68
Rot. Bonds3

About 5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine

5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine (PubChem CID 103519137) has the molecular formula C11H13BrN6S and a molecular weight of 341.24 g/mol. Its IUPAC name is 5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
PubChem CID103519137
Molecular FormulaC11H13BrN6S
Molecular Weight341.24 g/mol
Exact Mass340.01
IUPAC Name5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
SMILESNc1cncc(Br)c1Sc1nnnn1C1CCCC1
InChIInChI=1S/C11H13BrN6S/c12-8-5-14-6-9(13)10(8)19-11-15-16-17-18(11)7-3-1-2-4-7/h5-7H,1-4,13H2
InChIKeyGIDJQNUSKFLLDR-UHFFFAOYSA-N
XLogP2.68
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine?
The IUPAC name of 5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine (CID 103519137) is 5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine?
The canonical SMILES for 5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine is Nc1cncc(Br)c1Sc1nnnn1C1CCCC1.
What is the InChIKey of 5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine?
The InChIKey is GIDJQNUSKFLLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6S/c12-8-5-14-6-9(13)10(8)19-11-15-16-17-18(11)7-3-1-2-4-7/h5-7H,1-4,13H2.
What are the key properties of 5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine?
5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine has a molecular weight of 341.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine is sourced from PubChem (CID 103519137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).