(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone

C13H22N4O2 — CID 114686036

IUPAC(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCN1CCOC(C(=O)c2cnnn2CCC)C1
InChIInChI=1S/C13H22N4O2/c1-3-5-16-7-8-19-12(10-16)13(18)11-9-14-15-17(11)6-4-2/h9,12H,3-8,10H2,1-2H3
InChIKeyQEPJYWVOXORGDS-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.98
Rot. Bonds6

About (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone

(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone (PubChem CID 114686036) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone
PubChem CID114686036
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCN1CCOC(C(=O)c2cnnn2CCC)C1
InChIInChI=1S/C13H22N4O2/c1-3-5-16-7-8-19-12(10-16)13(18)11-9-14-15-17(11)6-4-2/h9,12H,3-8,10H2,1-2H3
InChIKeyQEPJYWVOXORGDS-UHFFFAOYSA-N
XLogP0.98
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
CID 114641477
(5-methyl-3-pyridinyl)-(4-propylmorpholin-2-yl)methanone
CID 113297079
(4-methoxy-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
CID 114641469
(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone
CID 79669008
(2,4-difluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79669007
N,N-dimethyl-4-propylmorpholine-2-carboxamide
CID 177158448
(4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 79077309
(4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone
CID 79663285
2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668855
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone
CID 114641476
(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114685710
(5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79742554

Frequently Asked Questions

What is the IUPAC name of (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone?
The IUPAC name of (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone (CID 114686036) is (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone.
What is the SMILES notation for (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone?
The canonical SMILES for (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone is CCCN1CCOC(C(=O)c2cnnn2CCC)C1.
What is the InChIKey of (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone?
The InChIKey is QEPJYWVOXORGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-5-16-7-8-19-12(10-16)13(18)11-9-14-15-17(11)6-4-2/h9,12H,3-8,10H2,1-2H3.
What are the key properties of (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone?
(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone is sourced from PubChem (CID 114686036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).