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

C15H27N5O — CID 46985216

IUPAC1-(2-cycloheptylethyl)-3-(1-propyl-1,2,4-triazol-3-yl)urea
SMILESCCCn1cnc(NC(=O)NCCC2CCCCCC2)n1
InChIInChI=1S/C15H27N5O/c1-2-11-20-12-17-14(19-20)18-15(21)16-10-9-13-7-5-3-4-6-8-13/h12-13H,2-11H2,1H3,(H2,16,18,19,21)
InChIKeyKFZCXRPZYJFNPX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.17
Rot. Bonds6

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

1-(2-cycloheptylethyl)-3-(1-propyl-1,2,4-triazol-3-yl)urea (PubChem CID 46985216) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2-cycloheptylethyl)-3-(1-propyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-cycloheptylethyl)-3-(1-propyl-1,2,4-triazol-3-yl)urea
PubChem CID46985216
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name1-(2-cycloheptylethyl)-3-(1-propyl-1,2,4-triazol-3-yl)urea
SMILESCCCn1cnc(NC(=O)NCCC2CCCCCC2)n1
InChIInChI=1S/C15H27N5O/c1-2-11-20-12-17-14(19-20)18-15(21)16-10-9-13-7-5-3-4-6-8-13/h12-13H,2-11H2,1H3,(H2,16,18,19,21)
InChIKeyKFZCXRPZYJFNPX-UHFFFAOYSA-N
XLogP3.17
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.17
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-propyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-(2-cycloheptylethyl)-3-(1-propyl-1,2,4-triazol-3-yl)urea (CID 46985216) is 1-(2-cycloheptylethyl)-3-(1-propyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-(2-cycloheptylethyl)-3-(1-propyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-(2-cycloheptylethyl)-3-(1-propyl-1,2,4-triazol-3-yl)urea is CCCn1cnc(NC(=O)NCCC2CCCCCC2)n1.
What is the InChIKey of 1-(2-cycloheptylethyl)-3-(1-propyl-1,2,4-triazol-3-yl)urea?
The InChIKey is KFZCXRPZYJFNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-2-11-20-12-17-14(19-20)18-15(21)16-10-9-13-7-5-3-4-6-8-13/h12-13H,2-11H2,1H3,(H2,16,18,19,21).
What are the key properties of 1-(2-cycloheptylethyl)-3-(1-propyl-1,2,4-triazol-3-yl)urea?
1-(2-cycloheptylethyl)-3-(1-propyl-1,2,4-triazol-3-yl)urea has a molecular weight of 293.41 g/mol, XLogP of 3.17, 6 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-propyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 46985216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).