4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one

C16H24N6O2 — CID 71872794

IUPAC4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
SMILESCCCc1nc(C2CN(C(=O)CCCn3ccnc3)CCO2)n[nH]1
InChIInChI=1S/C16H24N6O2/c1-2-4-14-18-16(20-19-14)13-11-22(9-10-24-13)15(23)5-3-7-21-8-6-17-12-21/h6,8,12-13H,2-5,7,9-11H2,1H3,(H,18,19,20)
InChIKeyBDAMCJPXQDMSEJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.33
Rot. Bonds7

About 4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one

4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one (PubChem CID 71872794) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
PubChem CID71872794
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
SMILESCCCc1nc(C2CN(C(=O)CCCn3ccnc3)CCO2)n[nH]1
InChIInChI=1S/C16H24N6O2/c1-2-4-14-18-16(20-19-14)13-11-22(9-10-24-13)15(23)5-3-7-21-8-6-17-12-21/h6,8,12-13H,2-5,7,9-11H2,1H3,(H,18,19,20)
InChIKeyBDAMCJPXQDMSEJ-UHFFFAOYSA-N
XLogP1.33
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-(2-methylimidazol-1-yl)-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
CID 71872806
4-(1H-imidazol-2-ylmethyl)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928050
4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71928074
4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928118
2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-4-(1H-imidazol-2-ylmethyl)morpholine
CID 72122548
N,N-dimethyl-3-(2-{1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3-piperidinyl}-1H-imidazol-1-yl)-1-propanamine
CID 72888327
3-cyclopropyl-5-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-1H-1,2,4-triazole
CID 97881590
2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidine
CID 70783480
1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 72123284
3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidine
CID 70706290
1-[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
CID 70726341
3-{3-[4-(1-butyl-1H-imidazol-2-yl)-1-piperidinyl]-3-oxopropyl}-1H-1,2,4-triazol-5-amine
CID 70759277

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one (CID 71872794) is 4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one is CCCc1nc(C2CN(C(=O)CCCn3ccnc3)CCO2)n[nH]1.
What is the InChIKey of 4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one?
The InChIKey is BDAMCJPXQDMSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-2-4-14-18-16(20-19-14)13-11-22(9-10-24-13)15(23)5-3-7-21-8-6-17-12-21/h6,8,12-13H,2-5,7,9-11H2,1H3,(H,18,19,20).
What are the key properties of 4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one?
4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one has a molecular weight of 332.41 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 71872794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).