2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid

C9H9N5O2 — CID 66040568

IUPAC2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1Cc1ccncc1
InChIInChI=1S/C9H9N5O2/c15-9(16)6-14-8(11-12-13-14)5-7-1-3-10-4-2-7/h1-4H,5-6H2,(H,15,16)
InChIKeyJKAVEZKZHISFNZ-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.26
Rot. Bonds4

About 2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid

2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid (PubChem CID 66040568) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid
PubChem CID66040568
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1Cc1ccncc1
InChIInChI=1S/C9H9N5O2/c15-9(16)6-14-8(11-12-13-14)5-7-1-3-10-4-2-7/h1-4H,5-6H2,(H,15,16)
InChIKeyJKAVEZKZHISFNZ-UHFFFAOYSA-N
XLogP-0.26
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]butanoic acid
CID 66041427
2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid
CID 66042769
2-[5-[2-(3-methylphenyl)ethyl]tetrazol-1-yl]acetic acid
CID 66040764
4-[(5-benzyltetrazol-1-yl)methyl]benzoic acid
CID 82226211
2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid
CID 139677811
2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid
CID 84759092
3-(5-benzyltetrazol-1-yl)propan-1-ol
CID 84759521
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride
CID 75357903
2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]-N-prop-2-enylacetamide
CID 56790493
1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone
CID 161071002
4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid
CID 82226252
3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
CID 81068876

Frequently Asked Questions

What is the IUPAC name of 2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid (CID 66040568) is 2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1Cc1ccncc1.
What is the InChIKey of 2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid?
The InChIKey is JKAVEZKZHISFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c15-9(16)6-14-8(11-12-13-14)5-7-1-3-10-4-2-7/h1-4H,5-6H2,(H,15,16).
What are the key properties of 2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid?
2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid has a molecular weight of 219.20 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66040568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).