1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea

C5H9N5O2 — CID 130667068

IUPAC1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCONC(=O)Nc1ncnn1C
InChIInChI=1S/C5H9N5O2/c1-10-4(6-3-7-10)8-5(11)9-12-2/h3H,1-2H3,(H2,6,7,8,9,11)
InChIKeyNCVGOJKUCNOTSC-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.50
Rot. Bonds2

About 1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea

1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea (PubChem CID 130667068) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea
PubChem CID130667068
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCONC(=O)Nc1ncnn1C
InChIInChI=1S/C5H9N5O2/c1-10-4(6-3-7-10)8-5(11)9-12-2/h3H,1-2H3,(H2,6,7,8,9,11)
InChIKeyNCVGOJKUCNOTSC-UHFFFAOYSA-N
XLogP-0.50
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea (CID 130667068) is 1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea is CONC(=O)Nc1ncnn1C.
What is the InChIKey of 1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The InChIKey is NCVGOJKUCNOTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c1-10-4(6-3-7-10)8-5(11)9-12-2/h3H,1-2H3,(H2,6,7,8,9,11).
What are the key properties of 1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea?
1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea has a molecular weight of 171.16 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 130667068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).