1-ethyl-3-(3-methyltriazol-4-yl)urea

C6H11N5O — CID 130771141

IUPAC1-ethyl-3-(3-methyltriazol-4-yl)urea
SMILESCCNC(=O)Nc1cnnn1C
InChIInChI=1S/C6H11N5O/c1-3-7-6(12)9-5-4-8-10-11(5)2/h4H,3H2,1-2H3,(H2,7,9,12)
InChIKeyZNRTXYPUEMNWFU-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.04
Rot. Bonds2

About 1-ethyl-3-(3-methyltriazol-4-yl)urea

1-ethyl-3-(3-methyltriazol-4-yl)urea (PubChem CID 130771141) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 1-ethyl-3-(3-methyltriazol-4-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(3-methyltriazol-4-yl)urea
PubChem CID130771141
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name1-ethyl-3-(3-methyltriazol-4-yl)urea
SMILESCCNC(=O)Nc1cnnn1C
InChIInChI=1S/C6H11N5O/c1-3-7-6(12)9-5-4-8-10-11(5)2/h4H,3H2,1-2H3,(H2,7,9,12)
InChIKeyZNRTXYPUEMNWFU-UHFFFAOYSA-N
XLogP-0.04
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methyltriazol-4-yl)urea?
The IUPAC name of 1-ethyl-3-(3-methyltriazol-4-yl)urea (CID 130771141) is 1-ethyl-3-(3-methyltriazol-4-yl)urea.
What is the SMILES notation for 1-ethyl-3-(3-methyltriazol-4-yl)urea?
The canonical SMILES for 1-ethyl-3-(3-methyltriazol-4-yl)urea is CCNC(=O)Nc1cnnn1C.
What is the InChIKey of 1-ethyl-3-(3-methyltriazol-4-yl)urea?
The InChIKey is ZNRTXYPUEMNWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-3-7-6(12)9-5-4-8-10-11(5)2/h4H,3H2,1-2H3,(H2,7,9,12).
What are the key properties of 1-ethyl-3-(3-methyltriazol-4-yl)urea?
1-ethyl-3-(3-methyltriazol-4-yl)urea has a molecular weight of 169.19 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methyltriazol-4-yl)urea is sourced from PubChem (CID 130771141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).