1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea

C5H10N6O — CID 54446249

IUPAC1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea
SMILESCNC(=O)NCCn1cnnn1
InChIInChI=1S/C5H10N6O/c1-6-5(12)7-2-3-11-4-8-9-10-11/h4H,2-3H2,1H3,(H2,6,7,12)
InChIKeySTGLANRAMUGDNN-UHFFFAOYSA-N
MW170.18 g/mol
LogP-1.40
Rot. Bonds3

About 1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea

1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea (PubChem CID 54446249) has the molecular formula C5H10N6O and a molecular weight of 170.18 g/mol. Its IUPAC name is 1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea
PubChem CID54446249
Molecular FormulaC5H10N6O
Molecular Weight170.18 g/mol
Exact Mass170.09
IUPAC Name1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea
SMILESCNC(=O)NCCn1cnnn1
InChIInChI=1S/C5H10N6O/c1-6-5(12)7-2-3-11-4-8-9-10-11/h4H,2-3H2,1H3,(H2,6,7,12)
InChIKeySTGLANRAMUGDNN-UHFFFAOYSA-N
XLogP-1.40
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(tetrazol-1-yl)ethyl]acetamide
CID 18935659
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
2-(Tetrazol-1-yl)ethylurea
CID 54176790
1-Methyl-3-[2-(1,2,4-triazol-4-yl)ethyl]urea
CID 54376791
N-methyl-2-(tetrazol-1-yl)ethanamine
CID 54382046
N-ethyl-2-(1,2,4-triazol-1-yl)acetamide
CID 60644414

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea (CID 54446249) is 1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea is CNC(=O)NCCn1cnnn1.
What is the InChIKey of 1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea?
The InChIKey is STGLANRAMUGDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O/c1-6-5(12)7-2-3-11-4-8-9-10-11/h4H,2-3H2,1H3,(H2,6,7,12).
What are the key properties of 1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea?
1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea has a molecular weight of 170.18 g/mol, XLogP of -1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(tetrazol-1-yl)ethyl]urea is sourced from PubChem (CID 54446249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).