1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea

C3H7N7O — CID 90063649

IUPAC1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea
SMILESCN(N)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C3H7N7O/c1-10(4)3(11)5-2-6-8-9-7-2/h4H2,1H3,(H2,5,6,7,8,9,11)
InChIKeyNBPRZXMGIGMENA-UHFFFAOYSA-N
MW157.14 g/mol
LogP-1.46
Rot. Bonds1

About 1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea

1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea (PubChem CID 90063649) has the molecular formula C3H7N7O and a molecular weight of 157.14 g/mol. Its IUPAC name is 1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea.

Molecular Properties

Compound Name1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea
PubChem CID90063649
Molecular FormulaC3H7N7O
Molecular Weight157.14 g/mol
Exact Mass157.07
IUPAC Name1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea
SMILESCN(N)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C3H7N7O/c1-10(4)3(11)5-2-6-8-9-7-2/h4H2,1H3,(H2,5,6,7,8,9,11)
InChIKeyNBPRZXMGIGMENA-UHFFFAOYSA-N
XLogP-1.46
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 5-1.46
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-methyl-3-(2H-tetrazol-5-yl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea?
The IUPAC name of 1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea (CID 90063649) is 1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea.
What is the SMILES notation for 1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea?
The canonical SMILES for 1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea is CN(N)C(=O)Nc1nn[nH]n1.
What is the InChIKey of 1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea?
The InChIKey is NBPRZXMGIGMENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N7O/c1-10(4)3(11)5-2-6-8-9-7-2/h4H2,1H3,(H2,5,6,7,8,9,11).
What are the key properties of 1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea?
1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea has a molecular weight of 157.14 g/mol, XLogP of -1.46, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-methyl-3-(2H-tetrazol-5-yl)urea is sourced from PubChem (CID 90063649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).