2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid

C8H15N5O2 — CID 139677811

IUPAC2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid
SMILESCCN(CC)Cc1nnnn1CC(=O)O
InChIInChI=1S/C8H15N5O2/c1-3-12(4-2)5-7-9-10-11-13(7)6-8(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeyYPPAJDCSPPRJQO-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.40
Rot. Bonds6

About 2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid

2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid (PubChem CID 139677811) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid
PubChem CID139677811
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid
SMILESCCN(CC)Cc1nnnn1CC(=O)O
InChIInChI=1S/C8H15N5O2/c1-3-12(4-2)5-7-9-10-11-13(7)6-8(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeyYPPAJDCSPPRJQO-UHFFFAOYSA-N
XLogP-0.40
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid
CID 135344240
2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid
CID 84759092
2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid
CID 139677736
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride
CID 75357903
2-(5-methylsulfanyltetrazol-1-yl)acetic acid
CID 20670743
2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid
CID 66040568
2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070562
N-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine
CID 99990270
2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride
CID 46736953
3-[1-(2-methylprop-2-enyl)tetrazol-5-yl]propanoic acid
CID 84758869
2-[5-[2-(3-methylphenyl)ethyl]tetrazol-1-yl]acetic acid
CID 66040764
2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid
CID 66042769

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid (CID 139677811) is 2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid is CCN(CC)Cc1nnnn1CC(=O)O.
What is the InChIKey of 2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid?
The InChIKey is YPPAJDCSPPRJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-3-12(4-2)5-7-9-10-11-13(7)6-8(14)15/h3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid?
2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid has a molecular weight of 213.24 g/mol, XLogP of -0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 139677811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).