6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine

C11H14N6OS — CID 43262768

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine
SMILESCCOc1nc(Sc2nnnn2C2CC2)ccc1N
InChIInChI=1S/C11H14N6OS/c1-2-18-10-8(12)5-6-9(13-10)19-11-14-15-16-17(11)7-3-4-7/h5-7H,2-4,12H2,1H3
InChIKeyMGSPFNVTUULSEU-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.54
Rot. Bonds5

About 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine (PubChem CID 43262768) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine
PubChem CID43262768
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine
SMILESCCOc1nc(Sc2nnnn2C2CC2)ccc1N
InChIInChI=1S/C11H14N6OS/c1-2-18-10-8(12)5-6-9(13-10)19-11-14-15-16-17(11)7-3-4-7/h5-7H,2-4,12H2,1H3
InChIKeyMGSPFNVTUULSEU-UHFFFAOYSA-N
XLogP1.54
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole
CID 17451903
methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate
CID 114409394
4-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-propylpyrimidine
CID 80945247
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80869111
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769862
2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
CID 61146777
1-cyclopropyl-5-(3-ethoxy-4-nitrophenyl)sulfanyltetrazole
CID 133426657
2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine
CID 43262852
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine
CID 63819127
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720149
6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid
CID 62240584

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine (CID 43262768) is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine is CCOc1nc(Sc2nnnn2C2CC2)ccc1N.
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine?
The InChIKey is MGSPFNVTUULSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-2-18-10-8(12)5-6-9(13-10)19-11-14-15-16-17(11)7-3-4-7/h5-7H,2-4,12H2,1H3.
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine?
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine has a molecular weight of 278.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine is sourced from PubChem (CID 43262768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).