2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C16H17N5O2 — CID 175850931

IUPAC2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1n(C[C@@H]2COCCN2)nc2cc(-c3ccccc3)ncn12
InChIInChI=1S/C16H17N5O2/c22-16-20-11-18-14(12-4-2-1-3-5-12)8-15(20)19-21(16)9-13-10-23-7-6-17-13/h1-5,8,11,13,17H,6-7,9-10H2/t13-/m1/s1
InChIKeyXTTXTFZTISHZAE-CYBMUJFWSA-N
MW311.34 g/mol
LogP0.55
Rot. Bonds3

About 2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 175850931) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID175850931
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1n(C[C@@H]2COCCN2)nc2cc(-c3ccccc3)ncn12
InChIInChI=1S/C16H17N5O2/c22-16-20-11-18-14(12-4-2-1-3-5-12)8-15(20)19-21(16)9-13-10-23-7-6-17-13/h1-5,8,11,13,17H,6-7,9-10H2/t13-/m1/s1
InChIKeyXTTXTFZTISHZAE-CYBMUJFWSA-N
XLogP0.55
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

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Related Compounds

4-[(E)-[7-cyclopropylimino-5-[3-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136398288
4-[(E)-[4-cyclopropylimino-2-[(2-morpholin-4-yl-1-phenylethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136483750
4-[(E)-[4-cyclopropylimino-2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136483982
4-[(E)-[4-cyclopropylimino-2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136484306
2-[8-(morpholin-4-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
CID 49663375
4-benzyl-2-(2-ethoxyethyl)-5-(4-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 56712424
N-(4-fluorobenzyl)-2-(8-morpholino-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)acetamide
CID 49663371
N-[(3,5-difluorophenyl)methyl]-2-[8-(morpholin-4-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 49663372
2-[8-(morpholin-4-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
CID 49663376
5-Methyl-2-[2-(morpholin-4-YL)-2-oxoethyl]-7-phenyl-2H,3H-[1,2,4]triazolo[4,3-C]pyrimidin-3-one
CID 49665729
N-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
CID 50927035
(9R)-4-[(2,4,5-trifluorophenyl)methylamino]-11-oxa-1,5,7-triazatricyclo[7.4.0.02,7]trideca-2,4-dien-6-one
CID 118686035

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 175850931) is 2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1n(C[C@@H]2COCCN2)nc2cc(-c3ccccc3)ncn12.
What is the InChIKey of 2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is XTTXTFZTISHZAE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-16-20-11-18-14(12-4-2-1-3-5-12)8-15(20)19-21(16)9-13-10-23-7-6-17-13/h1-5,8,11,13,17H,6-7,9-10H2/t13-/m1/s1.
What are the key properties of 2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 311.34 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 175850931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).