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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde
CID 80639438
2-[5-methyl-6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)-3-pyridinyl]ethanamine
CID 80640191
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
CID 80893018
[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol
CID 63814749
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769862
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine
CID 43528935
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine
CID 63805114
[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528934
[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine
CID 80930542
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
CID 61228113
2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
CID 61146777
5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine
CID 66320984

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).