3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea

C6H11N5O2 — CID 83101166

IUPAC3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea
SMILESCOc1n[nH]c(NC(=O)N(C)C)n1
InChIInChI=1S/C6H11N5O2/c1-11(2)6(12)8-4-7-5(13-3)10-9-4/h1-3H3,(H2,7,8,9,10,12)
InChIKeyIDYLSJMLZXXYDO-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.09
Rot. Bonds2

About 3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea

3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea (PubChem CID 83101166) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea
PubChem CID83101166
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea
SMILESCOc1n[nH]c(NC(=O)N(C)C)n1
InChIInChI=1S/C6H11N5O2/c1-11(2)6(12)8-4-7-5(13-3)10-9-4/h1-3H3,(H2,7,8,9,10,12)
InChIKeyIDYLSJMLZXXYDO-UHFFFAOYSA-N
XLogP-0.09
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea?
The IUPAC name of 3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea (CID 83101166) is 3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea is COc1n[nH]c(NC(=O)N(C)C)n1.
What is the InChIKey of 3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea?
The InChIKey is IDYLSJMLZXXYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-11(2)6(12)8-4-7-5(13-3)10-9-4/h1-3H3,(H2,7,8,9,10,12).
What are the key properties of 3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea?
3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea has a molecular weight of 185.19 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea is sourced from PubChem (CID 83101166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).