1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one

C16H20N4O2 — CID 70549056

IUPAC1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one
SMILESCc1nn(-c2ccccc2)nc1C(=O)C(C)N1CCOCC1
InChIInChI=1S/C16H20N4O2/c1-12-15(16(21)13(2)19-8-10-22-11-9-19)18-20(17-12)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3
InChIKeySSAHCBHMXZNWNM-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.48
Rot. Bonds4

About 1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one

1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one (PubChem CID 70549056) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one
PubChem CID70549056
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one
SMILESCc1nn(-c2ccccc2)nc1C(=O)C(C)N1CCOCC1
InChIInChI=1S/C16H20N4O2/c1-12-15(16(21)13(2)19-8-10-22-11-9-19)18-20(17-12)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3
InChIKeySSAHCBHMXZNWNM-UHFFFAOYSA-N
XLogP1.48
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone
CID 50849333
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-phenyltriazole-4-carboxamide
CID 35243595
5-methyl-2-(4-methylphenyl)triazole-4-carboxylic acid
CID 1476841
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456
5-methyl-2-phenyltriazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174597828
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8900193
2-[16-(1-carboxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoic acid
CID 15241477
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892301
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892299

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one (CID 70549056) is 1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one is Cc1nn(-c2ccccc2)nc1C(=O)C(C)N1CCOCC1.
What is the InChIKey of 1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is SSAHCBHMXZNWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-15(16(21)13(2)19-8-10-22-11-9-19)18-20(17-12)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3.
What are the key properties of 1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one?
1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one has a molecular weight of 300.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 70549056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).