methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate

C11H12N6O2S — CID 114409394

IUPACmethyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C11H12N6O2S/c1-19-10(18)8-5-4-7(12)9(13-8)20-11-14-15-16-17(11)6-2-3-6/h4-6H,2-3,12H2,1H3
InChIKeyNQTAYVKABKNDEJ-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.92
Rot. Bonds4

About methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate

methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate (PubChem CID 114409394) has the molecular formula C11H12N6O2S and a molecular weight of 292.32 g/mol. Its IUPAC name is methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate
PubChem CID114409394
Molecular FormulaC11H12N6O2S
Molecular Weight292.32 g/mol
Exact Mass292.07
IUPAC Namemethyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C11H12N6O2S/c1-19-10(18)8-5-4-7(12)9(13-8)20-11-14-15-16-17(11)6-2-3-6/h4-6H,2-3,12H2,1H3
InChIKeyNQTAYVKABKNDEJ-UHFFFAOYSA-N
XLogP0.92
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate
CID 114409662
methyl 5-amino-6-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylate
CID 114409654
methyl 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoate
CID 26388915
4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide
CID 63358609
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
CID 80893018
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine
CID 43262768
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid
CID 62240584
methyl 5-amino-6-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboxylate
CID 114409353
methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate
CID 114409779
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid
CID 114214948
[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine
CID 80930542

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate (CID 114409394) is methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate is COC(=O)c1ccc(N)c(Sc2nnnn2C2CC2)n1.
What is the InChIKey of methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate?
The InChIKey is NQTAYVKABKNDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2S/c1-19-10(18)8-5-4-7(12)9(13-8)20-11-14-15-16-17(11)6-2-3-6/h4-6H,2-3,12H2,1H3.
What are the key properties of methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate?
methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate has a molecular weight of 292.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate is sourced from PubChem (CID 114409394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).