1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea

C6H8N8O — CID 154364354

IUPAC1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea
SMILESO=C(NCc1ncc[nH]1)Nc1nn[nH]n1
InChIInChI=1S/C6H8N8O/c15-6(10-5-11-13-14-12-5)9-3-4-7-1-2-8-4/h1-2H,3H2,(H,7,8)(H3,9,10,11,12,13,14,15)
InChIKeyLMLBMSFEMOXADG-UHFFFAOYSA-N
MW208.19 g/mol
LogP-0.76
Rot. Bonds3

About 1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea

1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea (PubChem CID 154364354) has the molecular formula C6H8N8O and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea
PubChem CID154364354
Molecular FormulaC6H8N8O
Molecular Weight208.19 g/mol
Exact Mass208.08
IUPAC Name1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea
SMILESO=C(NCc1ncc[nH]1)Nc1nn[nH]n1
InChIInChI=1S/C6H8N8O/c15-6(10-5-11-13-14-12-5)9-3-4-7-1-2-8-4/h1-2H,3H2,(H,7,8)(H3,9,10,11,12,13,14,15)
InChIKeyLMLBMSFEMOXADG-UHFFFAOYSA-N
XLogP-0.76
TPSA124.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea (CID 154364354) is 1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea is O=C(NCc1ncc[nH]1)Nc1nn[nH]n1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea?
The InChIKey is LMLBMSFEMOXADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N8O/c15-6(10-5-11-13-14-12-5)9-3-4-7-1-2-8-4/h1-2H,3H2,(H,7,8)(H3,9,10,11,12,13,14,15).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea?
1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea has a molecular weight of 208.19 g/mol, XLogP of -0.76, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea is sourced from PubChem (CID 154364354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).