2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid

C7H8N8O3 — CID 66288972

IUPAC2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)NCc2nn[nH]n2)nn1
InChIInChI=1S/C7H8N8O3/c16-6(17)3-15-2-4(9-14-15)7(18)8-1-5-10-12-13-11-5/h2H,1,3H2,(H,8,18)(H,16,17)(H,10,11,12,13)
InChIKeyOYYTWODTBCWYKZ-UHFFFAOYSA-N
MW252.19 g/mol
LogP-2.19
Rot. Bonds5

About 2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid

2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid (PubChem CID 66288972) has the molecular formula C7H8N8O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid
PubChem CID66288972
Molecular FormulaC7H8N8O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)NCc2nn[nH]n2)nn1
InChIInChI=1S/C7H8N8O3/c16-6(17)3-15-2-4(9-14-15)7(18)8-1-5-10-12-13-11-5/h2H,1,3H2,(H,8,18)(H,16,17)(H,10,11,12,13)
InChIKeyOYYTWODTBCWYKZ-UHFFFAOYSA-N
XLogP-2.19
TPSA151.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid (CID 66288972) is 2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid is O=C(O)Cn1cc(C(=O)NCc2nn[nH]n2)nn1.
What is the InChIKey of 2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid?
The InChIKey is OYYTWODTBCWYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N8O3/c16-6(17)3-15-2-4(9-14-15)7(18)8-1-5-10-12-13-11-5/h2H,1,3H2,(H,8,18)(H,16,17)(H,10,11,12,13).
What are the key properties of 2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid?
2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid has a molecular weight of 252.19 g/mol, XLogP of -2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 66288972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).