4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine

C17H26N6O — CID 167789057

IUPAC4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine
SMILESCc1[nH]ncc1CCCn1c(C2CCC2)nnc1N1CCOCC1
InChIInChI=1S/C17H26N6O/c1-13-15(12-18-19-13)6-3-7-23-16(14-4-2-5-14)20-21-17(23)22-8-10-24-11-9-22/h12,14H,2-11H2,1H3,(H,18,19)
InChIKeyBLPLCVAEMLQFSD-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.05
Rot. Bonds6

About 4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine

4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine (PubChem CID 167789057) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine
PubChem CID167789057
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine
SMILESCc1[nH]ncc1CCCn1c(C2CCC2)nnc1N1CCOCC1
InChIInChI=1S/C17H26N6O/c1-13-15(12-18-19-13)6-3-7-23-16(14-4-2-5-14)20-21-17(23)22-8-10-24-11-9-22/h12,14H,2-11H2,1H3,(H,18,19)
InChIKeyBLPLCVAEMLQFSD-UHFFFAOYSA-N
XLogP2.05
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine (CID 167789057) is 4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine is Cc1[nH]ncc1CCCn1c(C2CCC2)nnc1N1CCOCC1.
What is the InChIKey of 4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine?
The InChIKey is BLPLCVAEMLQFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13-15(12-18-19-13)6-3-7-23-16(14-4-2-5-14)20-21-17(23)22-8-10-24-11-9-22/h12,14H,2-11H2,1H3,(H,18,19).
What are the key properties of 4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine?
4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine has a molecular weight of 330.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 167789057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).