4-[5-(diethylamino)tetrazol-1-yl]butanoic acid

C9H17N5O2 — CID 139677761

IUPAC4-[5-(diethylamino)tetrazol-1-yl]butanoic acid
SMILESCCN(CC)c1nnnn1CCCC(=O)O
InChIInChI=1S/C9H17N5O2/c1-3-13(4-2)9-10-11-12-14(9)7-5-6-8(15)16/h3-7H2,1-2H3,(H,15,16)
InChIKeyUMICVPIHZBQHJY-UHFFFAOYSA-N
MW227.27 g/mol
LogP0.38
Rot. Bonds7

About 4-[5-(diethylamino)tetrazol-1-yl]butanoic acid

4-[5-(diethylamino)tetrazol-1-yl]butanoic acid (PubChem CID 139677761) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-[5-(diethylamino)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(diethylamino)tetrazol-1-yl]butanoic acid
PubChem CID139677761
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name4-[5-(diethylamino)tetrazol-1-yl]butanoic acid
SMILESCCN(CC)c1nnnn1CCCC(=O)O
InChIInChI=1S/C9H17N5O2/c1-3-13(4-2)9-10-11-12-14(9)7-5-6-8(15)16/h3-7H2,1-2H3,(H,15,16)
InChIKeyUMICVPIHZBQHJY-UHFFFAOYSA-N
XLogP0.38
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid
CID 66121681
4-[5-(4-ethylphenyl)tetrazol-1-yl]butanoic acid
CID 66044129
4-[5-(2-methylsulfonylpropan-2-yl)tetrazol-1-yl]butanoic acid
CID 66047002
3-(1-octadecyltetrazol-5-yl)propanoic acid
CID 162532467
4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid
CID 66044622
4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid
CID 66046773
4-(5-cyclopentyltetrazol-1-yl)butanoic acid
CID 66045339
4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
CID 66044137
6-[5-(4-methylphenyl)tetrazol-1-yl]hexanoic acid
CID 82226289
4-(5-cycloheptyltetrazol-1-yl)butanoic acid
CID 66046769
1-(3-carboxypropyl)-5-ethyltriazole-4-carboxylic acid
CID 82211957
4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid
CID 66046045

Frequently Asked Questions

What is the IUPAC name of 4-[5-(diethylamino)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(diethylamino)tetrazol-1-yl]butanoic acid (CID 139677761) is 4-[5-(diethylamino)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(diethylamino)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(diethylamino)tetrazol-1-yl]butanoic acid is CCN(CC)c1nnnn1CCCC(=O)O.
What is the InChIKey of 4-[5-(diethylamino)tetrazol-1-yl]butanoic acid?
The InChIKey is UMICVPIHZBQHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-3-13(4-2)9-10-11-12-14(9)7-5-6-8(15)16/h3-7H2,1-2H3,(H,15,16).
What are the key properties of 4-[5-(diethylamino)tetrazol-1-yl]butanoic acid?
4-[5-(diethylamino)tetrazol-1-yl]butanoic acid has a molecular weight of 227.27 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(diethylamino)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 139677761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).