1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea

C15H25N5O2 — CID 135368467

IUPAC1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea
SMILESCn1c(CCCNC(=O)NC2CCOCC2)nnc1C1CC1
InChIInChI=1S/C15H25N5O2/c1-20-13(18-19-14(20)11-4-5-11)3-2-8-16-15(21)17-12-6-9-22-10-7-12/h11-12H,2-10H2,1H3,(H2,16,17,21)
InChIKeyXEUYCKHFLAIDEW-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.10
Rot. Bonds6

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

1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea (PubChem CID 135368467) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea
PubChem CID135368467
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea
SMILESCn1c(CCCNC(=O)NC2CCOCC2)nnc1C1CC1
InChIInChI=1S/C15H25N5O2/c1-20-13(18-19-14(20)11-4-5-11)3-2-8-16-15(21)17-12-6-9-22-10-7-12/h11-12H,2-10H2,1H3,(H2,16,17,21)
InChIKeyXEUYCKHFLAIDEW-UHFFFAOYSA-N
XLogP1.10
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea (CID 135368467) is 1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea is Cn1c(CCCNC(=O)NC2CCOCC2)nnc1C1CC1.
What is the InChIKey of 1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea?
The InChIKey is XEUYCKHFLAIDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-20-13(18-19-14(20)11-4-5-11)3-2-8-16-15(21)17-12-6-9-22-10-7-12/h11-12H,2-10H2,1H3,(H2,16,17,21).
What are the key properties of 1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea?
1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea has a molecular weight of 307.40 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 135368467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).