formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde

C20H17N5O2 — CID 142948620

IUPACformaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde
SMILESC=O.Cc1nc(-c2ccccc2)n2nc(Nc3ccc(C=O)cc3)ncc12
InChIInChI=1S/C19H15N5O.CH2O/c1-13-17-11-20-19(22-16-9-7-14(12-25)8-10-16)23-24(17)18(21-13)15-5-3-2-4-6-15;1-2/h2-12H,1H3,(H,22,23);1H2
InChIKeyPOMHSLWAGVRZAY-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.47
Rot. Bonds4

About formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde

formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde (PubChem CID 142948620) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde.

Molecular Properties

Compound Nameformaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde
PubChem CID142948620
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Nameformaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde
SMILESC=O.Cc1nc(-c2ccccc2)n2nc(Nc3ccc(C=O)cc3)ncc12
InChIInChI=1S/C19H15N5O.CH2O/c1-13-17-11-20-19(22-16-9-7-14(12-25)8-10-16)23-24(17)18(21-13)15-5-3-2-4-6-15;1-2/h2-12H,1H3,(H,22,23);1H2
InChIKeyPOMHSLWAGVRZAY-UHFFFAOYSA-N
XLogP3.47
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde?
The IUPAC name of formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde (CID 142948620) is formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde.
What is the SMILES notation for formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde?
The canonical SMILES for formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde is C=O.Cc1nc(-c2ccccc2)n2nc(Nc3ccc(C=O)cc3)ncc12.
What is the InChIKey of formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde?
The InChIKey is POMHSLWAGVRZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O.CH2O/c1-13-17-11-20-19(22-16-9-7-14(12-25)8-10-16)23-24(17)18(21-13)15-5-3-2-4-6-15;1-2/h2-12H,1H3,(H,22,23);1H2.
What are the key properties of formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde?
formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde has a molecular weight of 359.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde is sourced from PubChem (CID 142948620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).