2-(tetrazol-1-yl)ethylurea

C4H8N6O — CID 54176790

IUPAC2-(tetrazol-1-yl)ethylurea
SMILESNC(=O)NCCn1cnnn1
InChIInChI=1S/C4H8N6O/c5-4(11)6-1-2-10-3-7-8-9-10/h3H,1-2H2,(H3,5,6,11)
InChIKeyPKOYDFUPTVSVFL-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.66
Rot. Bonds3

About 2-(tetrazol-1-yl)ethylurea

2-(tetrazol-1-yl)ethylurea (PubChem CID 54176790) has the molecular formula C4H8N6O and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)ethylurea.

Molecular Properties

Compound Name2-(tetrazol-1-yl)ethylurea
PubChem CID54176790
Molecular FormulaC4H8N6O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name2-(tetrazol-1-yl)ethylurea
SMILESNC(=O)NCCn1cnnn1
InChIInChI=1S/C4H8N6O/c5-4(11)6-1-2-10-3-7-8-9-10/h3H,1-2H2,(H3,5,6,11)
InChIKeyPKOYDFUPTVSVFL-UHFFFAOYSA-N
XLogP-1.66
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(tetrazol-1-yl)ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-Amino-3-azapentyl)tetrazole dihydrochloride
CID 132280280
2-Azaniumylethyl-[2-(tetrazol-1-yl)ethyl]azanium dichloride
CID 139169021
1-(1H-tetrazol-1-ylacetyl)piperazine
CID 16228151
1,1-Dimethyl-3-[2-(1,2,4-triazol-4-yl)ethyl]urea
CID 20501564
1,1-Dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea
CID 20501591
N-Methyl-2-(1H-tetrazol-1-yl)acetamide
CID 23260881
1-Propan-2-yl-3-[2-(1,2,4-triazol-1-yl)ethyl]urea
CID 23548351
1-Methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]urea
CID 23548389
2-(1,2,4-Triazol-4-yl)ethylurea
CID 53774485
N-[2-(tetrazol-1-yl)ethyl]acetamide
CID 54163098
1-Methyl-3-[2-(1,2,4-triazol-4-yl)ethyl]urea
CID 54376791
N-methyl-2-(tetrazol-1-yl)ethanamine
CID 54382046

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)ethylurea?
The IUPAC name of 2-(tetrazol-1-yl)ethylurea (CID 54176790) is 2-(tetrazol-1-yl)ethylurea.
What is the SMILES notation for 2-(tetrazol-1-yl)ethylurea?
The canonical SMILES for 2-(tetrazol-1-yl)ethylurea is NC(=O)NCCn1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)ethylurea?
The InChIKey is PKOYDFUPTVSVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O/c5-4(11)6-1-2-10-3-7-8-9-10/h3H,1-2H2,(H3,5,6,11).
What are the key properties of 2-(tetrazol-1-yl)ethylurea?
2-(tetrazol-1-yl)ethylurea has a molecular weight of 156.15 g/mol, XLogP of -1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)ethylurea is sourced from PubChem (CID 54176790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).