(5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one

C18H24N4O4 — CID 97090883

IUPAC(5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
SMILESC[C@H]1N=C(C(=O)N2CCC(OCCO)CC2)NN(c2ccccc2)C1=O
InChIInChI=1S/C18H24N4O4/c1-13-17(24)22(14-5-3-2-4-6-14)20-16(19-13)18(25)21-9-7-15(8-10-21)26-12-11-23/h2-6,13,15,23H,7-12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyAZKAIROZBFAPTI-CYBMUJFWSA-N
MW360.41 g/mol
LogP0.32
Rot. Bonds5

About (5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one

(5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one (PubChem CID 97090883) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one.

Molecular Properties

Compound Name(5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
PubChem CID97090883
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
SMILESC[C@H]1N=C(C(=O)N2CCC(OCCO)CC2)NN(c2ccccc2)C1=O
InChIInChI=1S/C18H24N4O4/c1-13-17(24)22(14-5-3-2-4-6-14)20-16(19-13)18(25)21-9-7-15(8-10-21)26-12-11-23/h2-6,13,15,23H,7-12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyAZKAIROZBFAPTI-CYBMUJFWSA-N
XLogP0.32
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 55990598
(3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide
CID 95580277
(5R)-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 39950771
5-methyl-3-[4-(2-methylpropyl)-1,4-diazepane-1-carbonyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 71876318
5-methyl-3-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 55678727
3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 55602302
N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 60586046
[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107033605
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103899127
2-anilino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82695740
2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropan-1-one
CID 82015374
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
CID 82016141

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one?
The IUPAC name of (5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one (CID 97090883) is (5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one.
What is the SMILES notation for (5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one?
The canonical SMILES for (5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one is C[C@H]1N=C(C(=O)N2CCC(OCCO)CC2)NN(c2ccccc2)C1=O.
What is the InChIKey of (5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one?
The InChIKey is AZKAIROZBFAPTI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-13-17(24)22(14-5-3-2-4-6-14)20-16(19-13)18(25)21-9-7-15(8-10-21)26-12-11-23/h2-6,13,15,23H,7-12H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one?
(5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one has a molecular weight of 360.41 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one is sourced from PubChem (CID 97090883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).