1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C23H23N3O4 — CID 70368761

IUPAC1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCC(CO)N1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C23H23N3O4/c1-16(14-27)24-15-26(25-13-12-19(28)22(29)21(25)23(24)30)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,20,27,29H,14-15H2,1H3
InChIKeyOAMPUSUIQOYXKP-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.08
Rot. Bonds5

About 1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 70368761) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID70368761
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCC(CO)N1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C23H23N3O4/c1-16(14-27)24-15-26(25-13-12-19(28)22(29)21(25)23(24)30)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,20,27,29H,14-15H2,1H3
InChIKeyOAMPUSUIQOYXKP-UHFFFAOYSA-N
XLogP2.08
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

RdRP-IN-3
CID 162640607
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CID 166632612
(3R)-2-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 166633232
1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 54736412
1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 58067162
5-hydroxy-1-[(3-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 67471537
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CID 67471576
1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 67471579
1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
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(4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 67471604
(4S)-4-benzhydryl-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 67471613
1-[(2-chlorophenyl)-phenylmethyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 67471622

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 70368761) is 1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is CC(CO)N1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O.
What is the InChIKey of 1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is OAMPUSUIQOYXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-16(14-27)24-15-26(25-13-12-19(28)22(29)21(25)23(24)30)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,20,27,29H,14-15H2,1H3.
What are the key properties of 1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 405.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-5-hydroxy-3-(1-hydroxypropan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 70368761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).