1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea

C5H11N7O — CID 118248215

IUPAC1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea
SMILESCCN(N)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C5H11N7O/c1-2-12(6)5(13)7-3-4-8-10-11-9-4/h2-3,6H2,1H3,(H,7,13)(H,8,9,10,11)
InChIKeyRVSCOMADALDMSQ-UHFFFAOYSA-N
MW185.19 g/mol
LogP-1.40
Rot. Bonds3

About 1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea

1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea (PubChem CID 118248215) has the molecular formula C5H11N7O and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea
PubChem CID118248215
Molecular FormulaC5H11N7O
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea
SMILESCCN(N)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C5H11N7O/c1-2-12(6)5(13)7-3-4-8-10-11-9-4/h2-3,6H2,1H3,(H,7,13)(H,8,9,10,11)
InChIKeyRVSCOMADALDMSQ-UHFFFAOYSA-N
XLogP-1.40
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea 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-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea
CID 118248182
2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid
CID 63645154
1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea
CID 118244888
2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 114290570
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 113270816
methyl 2-(2H-tetrazol-5-ylmethylamino)butanoate
CID 115353294
(2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 104908299
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
2-(2H-tetrazol-5-ylmethylamino)butanoic acid
CID 115353295
3-ethoxy-4-(2H-tetrazol-5-ylmethylcarbamoylamino)butanoic acid
CID 114227175
2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65222804
2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82816611

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea?
The IUPAC name of 1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea (CID 118248215) is 1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea?
The canonical SMILES for 1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea is CCN(N)C(=O)NCc1nn[nH]n1.
What is the InChIKey of 1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea?
The InChIKey is RVSCOMADALDMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N7O/c1-2-12(6)5(13)7-3-4-8-10-11-9-4/h2-3,6H2,1H3,(H,7,13)(H,8,9,10,11).
What are the key properties of 1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea?
1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea has a molecular weight of 185.19 g/mol, XLogP of -1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea is sourced from PubChem (CID 118248215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).