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

C6H10N4O2 — CID 59922425

IUPACmethyl 3-(5-methyltetrazol-1-yl)propanoate
SMILESCOC(=O)CCn1nnnc1C
InChIInChI=1S/C6H10N4O2/c1-5-7-8-9-10(5)4-3-6(11)12-2/h3-4H2,1-2H3
InChIKeyOASKXUDRKGAGHC-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.46
Rot. Bonds3

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

methyl 3-(5-methyltetrazol-1-yl)propanoate (PubChem CID 59922425) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl 3-(5-methyltetrazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-methyltetrazol-1-yl)propanoate
PubChem CID59922425
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Namemethyl 3-(5-methyltetrazol-1-yl)propanoate
SMILESCOC(=O)CCn1nnnc1C
InChIInChI=1S/C6H10N4O2/c1-5-7-8-9-10(5)4-3-6(11)12-2/h3-4H2,1-2H3
InChIKeyOASKXUDRKGAGHC-UHFFFAOYSA-N
XLogP-0.46
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-methyltetrazol-1-yl)propanoate?
The IUPAC name of methyl 3-(5-methyltetrazol-1-yl)propanoate (CID 59922425) is methyl 3-(5-methyltetrazol-1-yl)propanoate.
What is the SMILES notation for methyl 3-(5-methyltetrazol-1-yl)propanoate?
The canonical SMILES for methyl 3-(5-methyltetrazol-1-yl)propanoate is COC(=O)CCn1nnnc1C.
What is the InChIKey of methyl 3-(5-methyltetrazol-1-yl)propanoate?
The InChIKey is OASKXUDRKGAGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-5-7-8-9-10(5)4-3-6(11)12-2/h3-4H2,1-2H3.
What are the key properties of methyl 3-(5-methyltetrazol-1-yl)propanoate?
methyl 3-(5-methyltetrazol-1-yl)propanoate has a molecular weight of 170.17 g/mol, XLogP of -0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-methyltetrazol-1-yl)propanoate is sourced from PubChem (CID 59922425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).