5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid

C17H21N5O7 — CID 91323662

IUPAC5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCC(C)OCCCN1CN(Cc2ncon2)n2cc(C(=O)O)c(=O)c(O)c2C1=O
InChIInChI=1S/C17H21N5O7/c1-10(2)28-5-3-4-20-9-21(7-12-18-8-29-19-12)22-6-11(17(26)27)14(23)15(24)13(22)16(20)25/h6,8,10,24H,3-5,7,9H2,1-2H3,(H,26,27)
InChIKeyWFFGGNCJBSJVNF-UHFFFAOYSA-N
MW407.38 g/mol
LogP0.00
Rot. Bonds8

About 5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid

5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid (PubChem CID 91323662) has the molecular formula C17H21N5O7 and a molecular weight of 407.38 g/mol. Its IUPAC name is 5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
PubChem CID91323662
Molecular FormulaC17H21N5O7
Molecular Weight407.38 g/mol
Exact Mass407.14
IUPAC Name5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCC(C)OCCCN1CN(Cc2ncon2)n2cc(C(=O)O)c(=O)c(O)c2C1=O
InChIInChI=1S/C17H21N5O7/c1-10(2)28-5-3-4-20-9-21(7-12-18-8-29-19-12)22-6-11(17(26)27)14(23)15(24)13(22)16(20)25/h6,8,10,24H,3-5,7,9H2,1-2H3,(H,26,27)
InChIKeyWFFGGNCJBSJVNF-UHFFFAOYSA-N
XLogP0.00
TPSA151.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The IUPAC name of 5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid (CID 91323662) is 5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid is CC(C)OCCCN1CN(Cc2ncon2)n2cc(C(=O)O)c(=O)c(O)c2C1=O.
What is the InChIKey of 5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The InChIKey is WFFGGNCJBSJVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O7/c1-10(2)28-5-3-4-20-9-21(7-12-18-8-29-19-12)22-6-11(17(26)27)14(23)15(24)13(22)16(20)25/h6,8,10,24H,3-5,7,9H2,1-2H3,(H,26,27).
What are the key properties of 5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid has a molecular weight of 407.38 g/mol, XLogP of 0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid is sourced from PubChem (CID 91323662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).