3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one

C18H19N5O2 — CID 125128416

IUPAC3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1CCCN(C(=O)c2nnn3cc(-c4ccccc4)[nH]c(=O)c23)C1
InChIInChI=1S/C18H19N5O2/c1-12-6-5-9-22(10-12)18(25)15-16-17(24)19-14(11-23(16)21-20-15)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,19,24)/t12-/m1/s1
InChIKeyURCDOTZIULNFFR-GFCCVEGCSA-N
MW337.38 g/mol
LogP1.96
Rot. Bonds2

About 3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one

3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one (PubChem CID 125128416) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one
PubChem CID125128416
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1CCCN(C(=O)c2nnn3cc(-c4ccccc4)[nH]c(=O)c23)C1
InChIInChI=1S/C18H19N5O2/c1-12-6-5-9-22(10-12)18(25)15-16-17(24)19-14(11-23(16)21-20-15)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,19,24)/t12-/m1/s1
InChIKeyURCDOTZIULNFFR-GFCCVEGCSA-N
XLogP1.96
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one
CID 91891398
3-[3-(methylamino)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119491224
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119595143
(3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200594
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
(3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone
CID 110856129
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
(2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 82035056
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide
CID 125126674
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one (CID 125128416) is 3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one is C[C@@H]1CCCN(C(=O)c2nnn3cc(-c4ccccc4)[nH]c(=O)c23)C1.
What is the InChIKey of 3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one?
The InChIKey is URCDOTZIULNFFR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-6-5-9-22(10-12)18(25)15-16-17(24)19-14(11-23(16)21-20-15)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,19,24)/t12-/m1/s1.
What are the key properties of 3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one?
3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one has a molecular weight of 337.38 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125128416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).