1,1-dimethyl-3-(2H-tetrazol-5-yl)urea

C4H8N6O — CID 551595

IUPAC1,1-dimethyl-3-(2H-tetrazol-5-yl)urea
SMILESCN(C)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C4H8N6O/c1-10(2)4(11)5-3-6-8-9-7-3/h1-2H3,(H2,5,6,7,8,9,11)
InChIKeyXWLUWDHOTAFTBP-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.71
Rot. Bonds1

About 1,1-dimethyl-3-(2H-tetrazol-5-yl)urea

1,1-dimethyl-3-(2H-tetrazol-5-yl)urea (PubChem CID 551595) has the molecular formula C4H8N6O and a molecular weight of 156.15 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2H-tetrazol-5-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(2H-tetrazol-5-yl)urea
PubChem CID551595
Molecular FormulaC4H8N6O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name1,1-dimethyl-3-(2H-tetrazol-5-yl)urea
SMILESCN(C)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C4H8N6O/c1-10(2)4(11)5-3-6-8-9-7-3/h1-2H3,(H2,5,6,7,8,9,11)
InChIKeyXWLUWDHOTAFTBP-UHFFFAOYSA-N
XLogP-0.71
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(2H-tetrazol-5-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(2H-tetrazol-5-yl)urea (CID 551595) is 1,1-dimethyl-3-(2H-tetrazol-5-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(2H-tetrazol-5-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(2H-tetrazol-5-yl)urea is CN(C)C(=O)Nc1nn[nH]n1.
What is the InChIKey of 1,1-dimethyl-3-(2H-tetrazol-5-yl)urea?
The InChIKey is XWLUWDHOTAFTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O/c1-10(2)4(11)5-3-6-8-9-7-3/h1-2H3,(H2,5,6,7,8,9,11).
What are the key properties of 1,1-dimethyl-3-(2H-tetrazol-5-yl)urea?
1,1-dimethyl-3-(2H-tetrazol-5-yl)urea has a molecular weight of 156.15 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2H-tetrazol-5-yl)urea is sourced from PubChem (CID 551595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).