4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C18H18N4O2 — CID 46945449

IUPAC4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2c(c(CCc3cnc4cncnn34)c1)CCCC2
InChIInChI=1S/C18H18N4O2/c23-18(24)14-7-12-3-1-2-4-16(12)13(8-14)5-6-15-9-20-17-10-19-11-21-22(15)17/h7-11H,1-6H2,(H,23,24)
InChIKeyNKVKYKUBNBTFAF-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.49
Rot. Bonds4

About 4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 46945449) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID46945449
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2c(c(CCc3cnc4cncnn34)c1)CCCC2
InChIInChI=1S/C18H18N4O2/c23-18(24)14-7-12-3-1-2-4-16(12)13(8-14)5-6-15-9-20-17-10-19-11-21-22(15)17/h7-11H,1-6H2,(H,23,24)
InChIKeyNKVKYKUBNBTFAF-UHFFFAOYSA-N
XLogP2.49
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 46945449) is 4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is O=C(O)c1cc2c(c(CCc3cnc4cncnn34)c1)CCCC2.
What is the InChIKey of 4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is NKVKYKUBNBTFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(24)14-7-12-3-1-2-4-16(12)13(8-14)5-6-15-9-20-17-10-19-11-21-22(15)17/h7-11H,1-6H2,(H,23,24).
What are the key properties of 4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 322.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazo[2,1-f][1,2,4]triazin-7-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 46945449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).