7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C17H20N4O — CID 135752679

IUPAC7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCc1nc(C(C)CC)n2nc(-c3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C17H20N4O/c1-4-11(3)16-18-13(5-2)14-17(22)19-15(20-21(14)16)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,19,20,22)
InChIKeyGBCPNUZPKITCMG-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.16
Rot. Bonds4

About 7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 135752679) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID135752679
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCc1nc(C(C)CC)n2nc(-c3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C17H20N4O/c1-4-11(3)16-18-13(5-2)14-17(22)19-15(20-21(14)16)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,19,20,22)
InChIKeyGBCPNUZPKITCMG-UHFFFAOYSA-N
XLogP3.16
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 135752679) is 7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is CCc1nc(C(C)CC)n2nc(-c3ccccc3)[nH]c(=O)c12.
What is the InChIKey of 7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is GBCPNUZPKITCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-4-11(3)16-18-13(5-2)14-17(22)19-15(20-21(14)16)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,19,20,22).
What are the key properties of 7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 296.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135752679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).