1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea

C5H11N7O — CID 89086723

IUPAC1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea
SMILESCN(C)CNC(=O)Nc1nn[nH]n1
InChIInChI=1S/C5H11N7O/c1-12(2)3-6-5(13)7-4-8-10-11-9-4/h3H2,1-2H3,(H3,6,7,8,9,10,11,13)
InChIKeyMOFBWSORBKNXTJ-UHFFFAOYSA-N
MW185.19 g/mol
LogP-1.16
Rot. Bonds3

About 1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea

1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea (PubChem CID 89086723) has the molecular formula C5H11N7O and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea.

Molecular Properties

Compound Name1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea
PubChem CID89086723
Molecular FormulaC5H11N7O
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea
SMILESCN(C)CNC(=O)Nc1nn[nH]n1
InChIInChI=1S/C5H11N7O/c1-12(2)3-6-5(13)7-4-8-10-11-9-4/h3H2,1-2H3,(H3,6,7,8,9,10,11,13)
InChIKeyMOFBWSORBKNXTJ-UHFFFAOYSA-N
XLogP-1.16
TPSA98.83 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 ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea?
The IUPAC name of 1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea (CID 89086723) is 1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea.
What is the SMILES notation for 1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea?
The canonical SMILES for 1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea is CN(C)CNC(=O)Nc1nn[nH]n1.
What is the InChIKey of 1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea?
The InChIKey is MOFBWSORBKNXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N7O/c1-12(2)3-6-5(13)7-4-8-10-11-9-4/h3H2,1-2H3,(H3,6,7,8,9,10,11,13).
What are the key properties of 1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea?
1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea has a molecular weight of 185.19 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl]-3-(2H-tetrazol-5-yl)urea is sourced from PubChem (CID 89086723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).