1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea

C13H23N5O — CID 71989898

IUPAC1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCC1CC(C)CC(NC(=O)NCc2ncnn2C)C1
InChIInChI=1S/C13H23N5O/c1-9-4-10(2)6-11(5-9)17-13(19)14-7-12-15-8-16-18(12)3/h8-11H,4-7H2,1-3H3,(H2,14,17,19)
InChIKeyFTPRLYZJFUZYBS-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.44
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea

1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 71989898) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID71989898
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCC1CC(C)CC(NC(=O)NCc2ncnn2C)C1
InChIInChI=1S/C13H23N5O/c1-9-4-10(2)6-11(5-9)17-13(19)14-7-12-15-8-16-18(12)3/h8-11H,4-7H2,1-3H3,(H2,14,17,19)
InChIKeyFTPRLYZJFUZYBS-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea (CID 71989898) is 1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea is CC1CC(C)CC(NC(=O)NCc2ncnn2C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is FTPRLYZJFUZYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9-4-10(2)6-11(5-9)17-13(19)14-7-12-15-8-16-18(12)3/h8-11H,4-7H2,1-3H3,(H2,14,17,19).
What are the key properties of 1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 265.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 71989898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).