1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea

C14H25N5O — CID 46993199

IUPAC1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea
SMILESCCn1cnc(NC(=O)NCCC2CCCCCC2)n1
InChIInChI=1S/C14H25N5O/c1-2-19-11-16-13(18-19)17-14(20)15-10-9-12-7-5-3-4-6-8-12/h11-12H,2-10H2,1H3,(H2,15,17,18,20)
InChIKeyQKUYTFKDMDUPFV-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.78
Rot. Bonds5

About 1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea

1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea (PubChem CID 46993199) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea
PubChem CID46993199
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea
SMILESCCn1cnc(NC(=O)NCCC2CCCCCC2)n1
InChIInChI=1S/C14H25N5O/c1-2-19-11-16-13(18-19)17-14(20)15-10-9-12-7-5-3-4-6-8-12/h11-12H,2-10H2,1H3,(H2,15,17,18,20)
InChIKeyQKUYTFKDMDUPFV-UHFFFAOYSA-N
XLogP2.78
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea (CID 46993199) is 1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea is CCn1cnc(NC(=O)NCCC2CCCCCC2)n1.
What is the InChIKey of 1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea?
The InChIKey is QKUYTFKDMDUPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-2-19-11-16-13(18-19)17-14(20)15-10-9-12-7-5-3-4-6-8-12/h11-12H,2-10H2,1H3,(H2,15,17,18,20).
What are the key properties of 1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea?
1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea has a molecular weight of 279.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 46993199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).