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

C4H9N7O — CID 118248182

IUPAC1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea
SMILESCN(N)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C4H9N7O/c1-11(5)4(12)6-2-3-7-9-10-8-3/h2,5H2,1H3,(H,6,12)(H,7,8,9,10)
InChIKeyXYQVMFFQOFSFTH-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.79
Rot. Bonds2

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

1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea (PubChem CID 118248182) has the molecular formula C4H9N7O and a molecular weight of 171.16 g/mol. Its IUPAC name is 1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea
PubChem CID118248182
Molecular FormulaC4H9N7O
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea
SMILESCN(N)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C4H9N7O/c1-11(5)4(12)6-2-3-7-9-10-8-3/h2,5H2,1H3,(H,6,12)(H,7,8,9,10)
InChIKeyXYQVMFFQOFSFTH-UHFFFAOYSA-N
XLogP-1.79
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.79
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'}

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Related Compounds

1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea
CID 118248215
1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea
CID 118244888
2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid
CID 63645154
2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 114290570
(2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 104908299
2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 65100923
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82816611
3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 62366415
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 113270816
2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 166316578
2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 64677423

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea?
The IUPAC name of 1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea (CID 118248182) is 1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea?
The canonical SMILES for 1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea is CN(N)C(=O)NCc1nn[nH]n1.
What is the InChIKey of 1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea?
The InChIKey is XYQVMFFQOFSFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N7O/c1-11(5)4(12)6-2-3-7-9-10-8-3/h2,5H2,1H3,(H,6,12)(H,7,8,9,10).
What are the key properties of 1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea?
1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea has a molecular weight of 171.16 g/mol, XLogP of -1.79, 2 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-ylmethyl)urea is sourced from PubChem (CID 118248182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).