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

C15H28N6O2 — CID 51082705

IUPAC1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
SMILESCCn1cnnc1CNC(=O)NCC(C(C)C)N1CCOCC1
InChIInChI=1S/C15H28N6O2/c1-4-20-11-18-19-14(20)10-17-15(22)16-9-13(12(2)3)21-5-7-23-8-6-21/h11-13H,4-10H2,1-3H3,(H2,16,17,22)
InChIKeyUWGVRZPIYCXWER-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.45
Rot. Bonds7

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

1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea (PubChem CID 51082705) has the molecular formula C15H28N6O2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea.

Molecular Properties

Compound Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
PubChem CID51082705
Molecular FormulaC15H28N6O2
Molecular Weight324.43 g/mol
Exact Mass324.23
IUPAC Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
SMILESCCn1cnnc1CNC(=O)NCC(C(C)C)N1CCOCC1
InChIInChI=1S/C15H28N6O2/c1-4-20-11-18-19-14(20)10-17-15(22)16-9-13(12(2)3)21-5-7-23-8-6-21/h11-13H,4-10H2,1-3H3,(H2,16,17,22)
InChIKeyUWGVRZPIYCXWER-UHFFFAOYSA-N
XLogP0.45
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
The IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea (CID 51082705) is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea.
What is the SMILES notation for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
The canonical SMILES for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea is CCn1cnnc1CNC(=O)NCC(C(C)C)N1CCOCC1.
What is the InChIKey of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
The InChIKey is UWGVRZPIYCXWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O2/c1-4-20-11-18-19-14(20)10-17-15(22)16-9-13(12(2)3)21-5-7-23-8-6-21/h11-13H,4-10H2,1-3H3,(H2,16,17,22).
What are the key properties of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea has a molecular weight of 324.43 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea is sourced from PubChem (CID 51082705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).