1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C17H17Cl2N3O3 — CID 67471671

IUPAC1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCC(C)N1CN(Cc2ccc(Cl)c(Cl)c2)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C17H17Cl2N3O3/c1-10(2)21-9-20(8-11-3-4-12(18)13(19)7-11)22-6-5-14(23)16(24)15(22)17(21)25/h3-7,10,24H,8-9H2,1-2H3
InChIKeyTVNCPEJDVMQPMC-UHFFFAOYSA-N
MW382.25 g/mol
LogP2.82
Rot. Bonds3

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

1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 67471671) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID67471671
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCC(C)N1CN(Cc2ccc(Cl)c(Cl)c2)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C17H17Cl2N3O3/c1-10(2)21-9-20(8-11-3-4-12(18)13(19)7-11)22-6-5-14(23)16(24)15(22)17(21)25/h3-7,10,24H,8-9H2,1-2H3
InChIKeyTVNCPEJDVMQPMC-UHFFFAOYSA-N
XLogP2.82
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 67471671) is 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is CC(C)N1CN(Cc2ccc(Cl)c(Cl)c2)n2ccc(=O)c(O)c2C1=O.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is TVNCPEJDVMQPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-10(2)21-9-20(8-11-3-4-12(18)13(19)7-11)22-6-5-14(23)16(24)15(22)17(21)25/h3-7,10,24H,8-9H2,1-2H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 382.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 67471671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).