3-(5-methyltetrazol-1-yl)propanoate

C5H7N4O2- — CID 7219833

IUPAC3-(5-methyltetrazol-1-yl)propanoate
SMILESCc1nnnn1CCC(=O)[O-]
InChIInChI=1S/C5H8N4O2/c1-4-6-7-8-9(4)3-2-5(10)11/h2-3H2,1H3,(H,10,11)/p-1
InChIKeyBWHMAWHZWZJDKG-UHFFFAOYSA-M
MW155.14 g/mol
LogP-1.88
Rot. Bonds3

About 3-(5-methyltetrazol-1-yl)propanoate

3-(5-methyltetrazol-1-yl)propanoate (PubChem CID 7219833) has the molecular formula C5H7N4O2- and a molecular weight of 155.14 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)propanoate.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)propanoate
PubChem CID7219833
Molecular FormulaC5H7N4O2-
Molecular Weight155.14 g/mol
Exact Mass155.06
IUPAC Name3-(5-methyltetrazol-1-yl)propanoate
SMILESCc1nnnn1CCC(=O)[O-]
InChIInChI=1S/C5H8N4O2/c1-4-6-7-8-9(4)3-2-5(10)11/h2-3H2,1H3,(H,10,11)/p-1
InChIKeyBWHMAWHZWZJDKG-UHFFFAOYSA-M
XLogP-1.88
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.14
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(5-methyltetrazol-1-yl)propanoate
CID 59922425
2-(5-methyltetrazol-1-yl)acetyl chloride
CID 165357102
3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82509687
5-methyl-1-pentyltetrazole
CID 67274114
2-(5-methyltetrazol-1-yl)acetamide
CID 71946280
5-methyl-1-octyltetrazole
CID 20685309
2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid
CID 21482131
2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride
CID 103098263
N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide
CID 122148587
1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70756628
3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46960745
3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoate
CID 4753296

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)propanoate?
The IUPAC name of 3-(5-methyltetrazol-1-yl)propanoate (CID 7219833) is 3-(5-methyltetrazol-1-yl)propanoate.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)propanoate?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)propanoate is Cc1nnnn1CCC(=O)[O-].
What is the InChIKey of 3-(5-methyltetrazol-1-yl)propanoate?
The InChIKey is BWHMAWHZWZJDKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8N4O2/c1-4-6-7-8-9(4)3-2-5(10)11/h2-3H2,1H3,(H,10,11)/p-1.
What are the key properties of 3-(5-methyltetrazol-1-yl)propanoate?
3-(5-methyltetrazol-1-yl)propanoate has a molecular weight of 155.14 g/mol, XLogP of -1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)propanoate is sourced from PubChem (CID 7219833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).