2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone

C11H15N3O — CID 174609991

IUPAC2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone
SMILESO=C(Cc1ccccc1)C1NCNCN1
InChIInChI=1S/C11H15N3O/c15-10(11-13-7-12-8-14-11)6-9-4-2-1-3-5-9/h1-5,11-14H,6-8H2
InChIKeyQAONAAGQHYYZNT-UHFFFAOYSA-N
MW205.26 g/mol
LogP-0.18
Rot. Bonds3

About 2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone

2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone (PubChem CID 174609991) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone
PubChem CID174609991
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone
SMILESO=C(Cc1ccccc1)C1NCNCN1
InChIInChI=1S/C11H15N3O/c15-10(11-13-7-12-8-14-11)6-9-4-2-1-3-5-9/h1-5,11-14H,6-8H2
InChIKeyQAONAAGQHYYZNT-UHFFFAOYSA-N
XLogP-0.18
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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tris(2-phenylacetic acid);rhodium
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formaldehyde;2-phenylacetic acid
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1-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)-2-phenylethanone
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CID 174965541
2-phenylacetic acid;propanedioic acid
CID 159349511
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CID 23248
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CID 174297587

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone?
The IUPAC name of 2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone (CID 174609991) is 2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone is O=C(Cc1ccccc1)C1NCNCN1.
What is the InChIKey of 2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone?
The InChIKey is QAONAAGQHYYZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-10(11-13-7-12-8-14-11)6-9-4-2-1-3-5-9/h1-5,11-14H,6-8H2.
What are the key properties of 2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone?
2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone has a molecular weight of 205.26 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone is sourced from PubChem (CID 174609991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).