ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate

C12H15N5O2 — CID 67517354

IUPACethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(-n2cnnn2)nc1C
InChIInChI=1S/C12H15N5O2/c1-4-19-12(18)8(2)10-5-6-11(14-9(10)3)17-7-13-15-16-17/h5-8H,4H2,1-3H3
InChIKeyBPVQVNKXUFQLQG-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.03
Rot. Bonds4

About ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate

ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate (PubChem CID 67517354) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate
PubChem CID67517354
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Nameethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(-n2cnnn2)nc1C
InChIInChI=1S/C12H15N5O2/c1-4-19-12(18)8(2)10-5-6-11(14-9(10)3)17-7-13-15-16-17/h5-8H,4H2,1-3H3
InChIKeyBPVQVNKXUFQLQG-UHFFFAOYSA-N
XLogP1.03
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane
CID 145074142
ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate
CID 124673288
2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine
CID 130474370
ethyl 2-(4-ethyl-1,2,4-triazol-3-yl)propanoate
CID 79472412
5-[(1R)-1-hydroxy-2-[4-[(2S)-2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;5-[(1R)-1-hydroxy-2-[4-[(2R)-2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
CID 158674895
5-[(1R)-1-hydroxy-2-[4-[(2S)-2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
CID 71557676
3-[9-[(2S)-2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methylcyclopent-2-en-1-one
CID 118196885
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
ethyl 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carboxylate
CID 61385361
8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 130449744
ethyl 2-(2,3,4-trifluorophenyl)propanoate
CID 117047580
ethyl 4-methyl-2-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxylate
CID 118555064

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate?
The IUPAC name of ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate (CID 67517354) is ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate.
What is the SMILES notation for ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate?
The canonical SMILES for ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate is CCOC(=O)C(C)c1ccc(-n2cnnn2)nc1C.
What is the InChIKey of ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate?
The InChIKey is BPVQVNKXUFQLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-4-19-12(18)8(2)10-5-6-11(14-9(10)3)17-7-13-15-16-17/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate?
ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate has a molecular weight of 261.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate is sourced from PubChem (CID 67517354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).