(2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone

C16H18N4O2 — CID 154799180

IUPAC(2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2ccnn2)c1)N1CCOC(C2CC2)C1
InChIInChI=1S/C16H18N4O2/c21-16(19-8-9-22-15(11-19)12-4-5-12)13-2-1-3-14(10-13)20-7-6-17-18-20/h1-3,6-7,10,12,15H,4-5,8-9,11H2
InChIKeyDZKRQVOSWUMPQE-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.52
Rot. Bonds3

About (2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone

(2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone (PubChem CID 154799180) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone
PubChem CID154799180
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2ccnn2)c1)N1CCOC(C2CC2)C1
InChIInChI=1S/C16H18N4O2/c21-16(19-8-9-22-15(11-19)12-4-5-12)13-2-1-3-14(10-13)20-7-6-17-18-20/h1-3,6-7,10,12,15H,4-5,8-9,11H2
InChIKeyDZKRQVOSWUMPQE-UHFFFAOYSA-N
XLogP1.52
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone
CID 118496851
[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586
[1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate
CID 126803064
2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124705020
(3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone
CID 144671440
[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(triazol-1-yl)phenyl]methanone
CID 129484539
1-[(5aR,9aS)-8-(quinoline-6-carbonyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-4-yl]ethanone
CID 97403439
(2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone
CID 128716633
(2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone
CID 90649833
1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone
CID 141342527
(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524
1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 126768644

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone?
The IUPAC name of (2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone (CID 154799180) is (2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone.
What is the SMILES notation for (2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone?
The canonical SMILES for (2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone is O=C(c1cccc(-n2ccnn2)c1)N1CCOC(C2CC2)C1.
What is the InChIKey of (2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone?
The InChIKey is DZKRQVOSWUMPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(19-8-9-22-15(11-19)12-4-5-12)13-2-1-3-14(10-13)20-7-6-17-18-20/h1-3,6-7,10,12,15H,4-5,8-9,11H2.
What are the key properties of (2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone?
(2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone has a molecular weight of 298.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 154799180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).