1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C29H32N4O3 — CID 134384816

IUPAC1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCc1c2n(ccc1=O)N(C(c1ccccc1)c1ccccc1)CN(C(C)CC(=O)N1CCCC1)C2=O
InChIInChI=1S/C29H32N4O3/c1-21(19-26(35)30-16-9-10-17-30)31-20-33(32-18-15-25(34)22(2)27(32)29(31)36)28(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-15,18,21,28H,9-10,16-17,19-20H2,1-2H3
InChIKeyYEFKWUVWQVKRTG-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.70
Rot. Bonds6

About 1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 134384816) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID134384816
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCc1c2n(ccc1=O)N(C(c1ccccc1)c1ccccc1)CN(C(C)CC(=O)N1CCCC1)C2=O
InChIInChI=1S/C29H32N4O3/c1-21(19-26(35)30-16-9-10-17-30)31-20-33(32-18-15-25(34)22(2)27(32)29(31)36)28(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-15,18,21,28H,9-10,16-17,19-20H2,1-2H3
InChIKeyYEFKWUVWQVKRTG-UHFFFAOYSA-N
XLogP3.70
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 134384816) is 1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is Cc1c2n(ccc1=O)N(C(c1ccccc1)c1ccccc1)CN(C(C)CC(=O)N1CCCC1)C2=O.
What is the InChIKey of 1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is YEFKWUVWQVKRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-21(19-26(35)30-16-9-10-17-30)31-20-33(32-18-15-25(34)22(2)27(32)29(31)36)28(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-15,18,21,28H,9-10,16-17,19-20H2,1-2H3.
What are the key properties of 1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 484.60 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 134384816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).