1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C13H23N5O — CID 51083491

IUPAC1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCC(NC(=O)NC1CCCCC1C)c1nncn1C
InChIInChI=1S/C13H23N5O/c1-9-6-4-5-7-11(9)16-13(19)15-10(2)12-17-14-8-18(12)3/h8-11H,4-7H2,1-3H3,(H2,15,16,19)
InChIKeyGUBNXFPBXHVRHV-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.75
Rot. Bonds3

About 1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 51083491) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID51083491
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCC(NC(=O)NC1CCCCC1C)c1nncn1C
InChIInChI=1S/C13H23N5O/c1-9-6-4-5-7-11(9)16-13(19)15-10(2)12-17-14-8-18(12)3/h8-11H,4-7H2,1-3H3,(H2,15,16,19)
InChIKeyGUBNXFPBXHVRHV-UHFFFAOYSA-N
XLogP1.75
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 51083491) is 1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is CC(NC(=O)NC1CCCCC1C)c1nncn1C.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is GUBNXFPBXHVRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9-6-4-5-7-11(9)16-13(19)15-10(2)12-17-14-8-18(12)3/h8-11H,4-7H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 265.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 51083491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).