1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea

C6H12N6O — CID 20501591

IUPAC1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea
SMILESCN(C)C(=O)NCCn1cnnn1
InChIInChI=1S/C6H12N6O/c1-11(2)6(13)7-3-4-12-5-8-9-10-12/h5H,3-4H2,1-2H3,(H,7,13)
InChIKeyNEWJIWQYBUZZKZ-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.06
Rot. Bonds3

About 1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea

1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea (PubChem CID 20501591) has the molecular formula C6H12N6O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea
PubChem CID20501591
Molecular FormulaC6H12N6O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea
SMILESCN(C)C(=O)NCCn1cnnn1
InChIInChI=1S/C6H12N6O/c1-11(2)6(13)7-3-4-12-5-8-9-10-12/h5H,3-4H2,1-2H3,(H,7,13)
InChIKeyNEWJIWQYBUZZKZ-UHFFFAOYSA-N
XLogP-1.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea (CID 20501591) is 1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea is CN(C)C(=O)NCCn1cnnn1.
What is the InChIKey of 1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea?
The InChIKey is NEWJIWQYBUZZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O/c1-11(2)6(13)7-3-4-12-5-8-9-10-12/h5H,3-4H2,1-2H3,(H,7,13).
What are the key properties of 1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea?
1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea has a molecular weight of 184.20 g/mol, XLogP of -1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea is sourced from PubChem (CID 20501591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).