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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Related Compounds

2-[4-(1H-pyrazol-4-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66289594
2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288328
1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide
CID 63284483
2-[4-[(5-ethylthiophen-2-yl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 106005740
2-[4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 106240403
2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66290029
2-[4-[(3-fluorophenyl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66288334
2-[4-(2-ethoxyethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288954
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
2-[4-[(6-methoxy-3-pyridinyl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66290431
2-[4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 80689290
2-[4-(2-cyclohexylethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290825

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).