1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone

C14H24N4O2 — CID 116587763

IUPAC1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
SMILESCCCNC1COCC1C(=O)Cc1ncnn1CCC
InChIInChI=1S/C14H24N4O2/c1-3-5-15-12-9-20-8-11(12)13(19)7-14-16-10-17-18(14)6-4-2/h10-12,15H,3-9H2,1-2H3
InChIKeyPVYHGCHZCUUJHN-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.81
Rot. Bonds8

About 1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone

1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone (PubChem CID 116587763) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
PubChem CID116587763
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
SMILESCCCNC1COCC1C(=O)Cc1ncnn1CCC
InChIInChI=1S/C14H24N4O2/c1-3-5-15-12-9-20-8-11(12)13(19)7-14-16-10-17-18(14)6-4-2/h10-12,15H,3-9H2,1-2H3
InChIKeyPVYHGCHZCUUJHN-UHFFFAOYSA-N
XLogP0.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587669
1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 116587159
1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone
CID 116587805
1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587714
N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide
CID 66256735
4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66252286
2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587837
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663
1-(3-ethyl-1,4-dithian-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 113299349
2-(3-bromo-2,6-difluorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 106272670
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
CID 103455915

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The IUPAC name of 1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone (CID 116587763) is 1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The canonical SMILES for 1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone is CCCNC1COCC1C(=O)Cc1ncnn1CCC.
What is the InChIKey of 1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The InChIKey is PVYHGCHZCUUJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-5-15-12-9-20-8-11(12)13(19)7-14-16-10-17-18(14)6-4-2/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 116587763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).