2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide

C8H12N10O2 — CID 22307052

IUPAC2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide
SMILESO=C(Cc1nn[nH]n1)NCCNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C8H12N10O2/c19-7(3-5-11-15-16-12-5)9-1-2-10-8(20)4-6-13-17-18-14-6/h1-4H2,(H,9,19)(H,10,20)(H,11,12,15,16)(H,13,14,17,18)
InChIKeyCWNPQTKURBACHV-UHFFFAOYSA-N
MW280.25 g/mol
LogP-3.27
Rot. Bonds7

About 2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide

2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide (PubChem CID 22307052) has the molecular formula C8H12N10O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide
PubChem CID22307052
Molecular FormulaC8H12N10O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide
SMILESO=C(Cc1nn[nH]n1)NCCNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C8H12N10O2/c19-7(3-5-11-15-16-12-5)9-1-2-10-8(20)4-6-13-17-18-14-6/h1-4H2,(H,9,19)(H,10,20)(H,11,12,15,16)(H,13,14,17,18)
InChIKeyCWNPQTKURBACHV-UHFFFAOYSA-N
XLogP-3.27
TPSA167.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 5-3.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide?
The IUPAC name of 2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide (CID 22307052) is 2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide is O=C(Cc1nn[nH]n1)NCCNC(=O)Cc1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide?
The InChIKey is CWNPQTKURBACHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N10O2/c19-7(3-5-11-15-16-12-5)9-1-2-10-8(20)4-6-13-17-18-14-6/h1-4H2,(H,9,19)(H,10,20)(H,11,12,15,16)(H,13,14,17,18).
What are the key properties of 2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide?
2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide has a molecular weight of 280.25 g/mol, XLogP of -3.27, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 22307052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).