(4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone

C11H18N4O2 — CID 114691937

IUPAC(4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)C1(C)COCC1N
InChIInChI=1S/C11H18N4O2/c1-3-4-15-8(5-13-14-15)10(16)11(2)7-17-6-9(11)12/h5,9H,3-4,6-7,12H2,1-2H3
InChIKeyOZTWJVBYJYSXAB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.23
Rot. Bonds4

About (4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone

(4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone (PubChem CID 114691937) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone
PubChem CID114691937
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)C1(C)COCC1N
InChIInChI=1S/C11H18N4O2/c1-3-4-15-8(5-13-14-15)10(16)11(2)7-17-6-9(11)12/h5,9H,3-4,6-7,12H2,1-2H3
InChIKeyOZTWJVBYJYSXAB-UHFFFAOYSA-N
XLogP0.23
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminooxan-4-yl)-(3-propyltriazol-4-yl)methanone
CID 114692305
(4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone
CID 114691980
[1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone
CID 114685998
(4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone
CID 116563259
(1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114686277
(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114685710
(4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone
CID 106655251
2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 115802313
3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 114692097
cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
CID 103448123
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanone
CID 114685686
ethyl 4-amino-3-methyloxolane-3-carboxylate
CID 66250331

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone (CID 114691937) is (4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone is CCCn1nncc1C(=O)C1(C)COCC1N.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone?
The InChIKey is OZTWJVBYJYSXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-4-15-8(5-13-14-15)10(16)11(2)7-17-6-9(11)12/h5,9H,3-4,6-7,12H2,1-2H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone?
(4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone is sourced from PubChem (CID 114691937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).