2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine

C12H16N6S — CID 80651706

IUPAC2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1Sc1nnnn1C1CC1
InChIInChI=1S/C12H16N6S/c1-8-6-9(4-5-13)7-14-11(8)19-12-15-16-17-18(12)10-2-3-10/h6-7,10H,2-5,13H2,1H3
InChIKeyLXFXRLBBKZAVSR-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.36
Rot. Bonds5

About 2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine

2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine (PubChem CID 80651706) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
PubChem CID80651706
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1Sc1nnnn1C1CC1
InChIInChI=1S/C12H16N6S/c1-8-6-9(4-5-13)7-14-11(8)19-12-15-16-17-18(12)10-2-3-10/h6-7,10H,2-5,13H2,1H3
InChIKeyLXFXRLBBKZAVSR-UHFFFAOYSA-N
XLogP1.36
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine (CID 80651706) is 2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine is Cc1cc(CCN)cnc1Sc1nnnn1C1CC1.
What is the InChIKey of 2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine?
The InChIKey is LXFXRLBBKZAVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-8-6-9(4-5-13)7-14-11(8)19-12-15-16-17-18(12)10-2-3-10/h6-7,10H,2-5,13H2,1H3.
What are the key properties of 2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine?
2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine has a molecular weight of 276.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 80651706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).